Chemical Formula: C59H94O27

Nigelloside B

C59H94O27 (1234.5982174)

Maesasaponin I

C59H94O27 (1234.5982174)

21-O-(4-O-angeloyl)-6-deoxy-beta-glucopyranosyl-3-O-[beta-glucopyranosyl(1-2)-O-[beta-glucopyranosyl(1-4)]-beta-glucuronopyranosyl]protoaescigenin|assamicin IV

C59H94O27 (1234.5982174)

C59H94O27

C59H94O27 (1234.5982174)

3beta-O-{[alpha-L-rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-3)-]-[beta-D-galactopyranosyl-(1-2)]-beta-D-glucuronopyranosyl}-21beta-angeloyloxy-13beta,28-oxidoolean-16alpha,22alpha,28alpha-triol|maesasaponin I

C59H94O27 (1234.5982174)

3-O-beta-D-glucopyranosylgypsogenin-28-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranoside

C59H94O27 (1234.5982174)

3-O-[beta-D-glucopyranosyl(1?2)-beta-D-glucopyranosyl-(1?3)]-[alpha-L-rhamnopyranosyl-(1?2)]-alpha-L-arabinopyranosyl-13-ene-19-one-28-oleanoic acid 28-O-beta-D-glucopyranosyl ester|hippophoside A

C59H94O27 (1234.5982174)

3beta-[(O-beta-D-glucuronopyranosyl-(1->3)-alpha-L-arabinopyranosyl)oxy]olean-12-en-28-oic acid O-alpha-L-rhamnopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl ester

C59H94O27 (1234.5982174)

(25S)-26-[(beta-D-glucopyranosyl)oxy]furosta-5,20(22)-dien-3beta-yl O-alpha-L-rhamnopyranosyl-(1->2)-O-[O-beta-D-glucopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->3)]-6-O-acetyl-beta-D-glucopyranoside

C59H94O27 (1234.5982174)

Holotoxin A

C59H94O27 (1234.5982174)

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (4as,6as,6br,8ar,9s,10s,12ar,12br,14bs)-10-{[(2s,3r,4s,5s)-3-{[(2s,3r,4r,5s,6s)-3,5-dihydroxy-6-methyl-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-9-formyl-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

C59H94O27 (1234.5982174)

[(2s,3s,4r,5s,6s)-4-{[(2r,3s,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-6-{[(1s,2s,4r,8r,9r,12r,13s,16r)-7,9,13-trimethyl-6-[(3r)-3-methyl-4-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-dien-16-yl]oxy}oxan-2-yl]methyl acetate

C59H94O27 (1234.5982174)

(2s,3s,4s,5r,6r)-4-{[(2s,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-6-{[(1r,2r,4s,5r,8r,10s,13r,14r,17s,18r,21r,22r,23s)-2,22,23-trihydroxy-4,5,9,9,13,20,20-heptamethyl-21-{[(2z)-2-methylbut-2-enoyl]oxy}-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl]oxy}-5-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

C59H94O27 (1234.5982174)

[(2r,3r,4s,5r,6r)-4-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-6-{[(1s,2s,4s,8s,9s,12s,13r,16s)-7,9,13-trimethyl-6-[(3s)-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-dien-16-yl]oxy}oxan-2-yl]methyl acetate

C59H94O27 (1234.5982174)

(25s)-26-[(β-d-glucopyranosyl)oxy]-22α-meth-oxyfurosta-5,20(22)-dien-3β-ylo-α-l-rhamno-pyranosyl-(1→2)-o-[o-β-d-glucopyranosyl-(1→4)-α-l-rhamnopyranosyl-(1→3)]-6-o-acetyl-β-d-glucopyranoside

C59H94O27 (1234.5982174)

{"Ingredient_id": "HBIN004772","Ingredient_name": "(25s)-26-[(\u03b2-d-glucopyranosyl)oxy]-22\u03b1-meth-oxyfurosta-5,20(22)-dien-3\u03b2-ylo-\u03b1-l-rhamno-pyranosyl-(1\u21922)-o-[o-\u03b2-d-glucopyranosyl-(1\u21924)-\u03b1-l-rhamnopyranosyl-(1\u21923)]-6-o-acetyl-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C59H94O27","Ingredient_Smile": "CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4(C5CCC6(C(C5CC=C4C3)CC7C6C(=C(O7)CCC(C)COC8C(C(C(C(O8)CO)O)O)O)C)C)C)COC(=O)C)O)OC9C(C(C(C(O9)C)OC1C(C(C(C(O1)CO)O)O)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8701","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

assamicin iv

C59H94O27 (1234.5982174)

{"Ingredient_id": "HBIN017169","Ingredient_name": "assamicin iv","Alias": "NA","Ingredient_formula": "C59H94O27","Ingredient_Smile": "CC=C(C)C(=O)OC1C(OC(C(C1O)O)OC2C(C3(C(CC2(C)C)C4=CCC5C6(CCC(C(C6CCC5(C4(CC3O)C)C)(C)CO)OC7C(C(C(C(O7)C(=O)O)OC8C(C(C(C(O8)CO)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)CO)O)C","Ingredient_weight": "1235.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1914","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101767319","DrugBank_id": "NA"}

{4-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3-hydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-{[7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-dien-16-yl]oxy}oxan-2-yl}methyl acetate

C59H94O27 (1234.5982174)

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (4as,6as,6br,8ar,9s,10s,12as,12br,14bs)-10-{[(2s,3r,4s,5s)-3-{[(2s,3r,4r,5s,6s)-3,5-dihydroxy-6-methyl-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-9-formyl-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

C59H94O27 (1234.5982174)

(2s,3r,4s,5s,6r)-3-{[(2s,3r,4s,5s)-4,5-dihydroxy-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (4as,6as,6br,8ar,9s,10s,12ar,12br,14bs)-9-formyl-2,2,6a,6b,9,12a-hexamethyl-10-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

C59H94O27 (1234.5982174)

6-[(2-{[8a-({[6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,5-dihydroxyoxan-4-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C59H94O27 (1234.5982174)

4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3-hydroxy-6-({2,22,23-trihydroxy-4,5,9,9,13,20,20-heptamethyl-21-[(2-methylbut-2-enoyl)oxy]-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl}oxy)-5-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}oxane-2-carboxylic acid

C59H94O27 (1234.5982174)

(2s,3s,4s,5r,6r)-6-{[(2s,3r,4s,5s)-2-{[(3s,4ar,6ar,6bs,8as,12as,14ar,14br)-8a-({[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4s,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,5-dihydroxyoxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C59H94O27 (1234.5982174)

(2s,3s,4s,5r,6r)-4-{[(2r,3s,4r,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-6-{[(1r,2s,4s,5s,8s,10r,13s,14s,17s,18r,21r,22r,23s)-2,22,23-trihydroxy-4,5,9,9,13,20,20-heptamethyl-21-{[(2z)-2-methylbut-2-enoyl]oxy}-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl]oxy}-5-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

C59H94O27 (1234.5982174)

3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 10-({3-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)-9-formyl-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

C59H94O27 (1234.5982174)

(2s,3s,4s,5r,6r)-4-{[(2s,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2r,3r,4r,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-6-{[(1r,2r,4s,5r,8r,10s,13r,14r,17s,18r,21r,22r,23s)-2,22,23-trihydroxy-4,5,9,9,13,20,20-heptamethyl-21-{[(2z)-2-methylbut-2-enoyl]oxy}-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl]oxy}-5-{[(1r,2s,3s,4s,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}oxane-2-carboxylic acid

C59H94O27 (1234.5982174)

4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3-hydroxy-6-({2,22,23-trihydroxy-4,5,9,9,13,20,20-heptamethyl-21-[(2-methylbut-2-enoyl)oxy]-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl}oxy)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

C59H94O27 (1234.5982174)

6-{[8a-({[6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid

C59H94O27 (1234.5982174)

3-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 9-formyl-2,2,6a,6b,9,12a-hexamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

C59H94O27 (1234.5982174)

(2s,3s,4r,5r,6r)-6-{[(3s,4ar,6ar,6bs,8as,12as,14ar,14br)-8a-({[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3-{[(2s,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid

C59H94O27 (1234.5982174)