Exact Mass: 988.516

Aquilegioside D

C49H80O20 (988.5243)

Crypthophilic acid B

C45H80O23 (988.509)

agroastragaloside IV

C49H80O20 (988.5243)

Clethroidoside B

C49H80O20 (988.5243)

A triterpenoid saponin that is barringtogenol C which is acetylated at position 28 and attached to a beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from the aerial parts of Lysimachia clethroides.

PIM1 34:6

C49H81O18P (988.516)

PIP(3') 40:7

C49H82O16P2 (988.5078)

PIP 40:7

C49H82O16P2 (988.5078)

PIP(4') 40:7

C49H82O16P2 (988.5078)

PIP(5') 40:7

C49H82O16P2 (988.5078)

agroastragaloside iv

C49H80O20 (988.5243)

{"Ingredient_id": "HBIN014911","Ingredient_name": "agroastragaloside iv","Alias": "NA","Ingredient_formula": "C49H80O20","Ingredient_Smile": "CC(=O)OC1C(C(COC1OC2CCC34CC35CCC6(C(C(CC6(C5CC(C4C2(C)C)OC7C(C(C(C(O7)CO)O)O)O)C)O)C8(CCC(O8)C(C)(C)OC9C(C(C(C(O9)CO)O)O)O)C)C)O)O","Ingredient_weight": "989.15","OB_score": "NA","CAS_id": "164991-87-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7105","PubChem_id": "101919089","DrugBank_id": "NA"}

aquilegioside c

C49H80O20 (988.5243)

{"Ingredient_id": "HBIN016549","Ingredient_name": "aquilegioside c","Alias": "NA","Ingredient_formula": "C49H80O20","Ingredient_Smile": "CC1C(OC2(C1C3(CCC45CC46CCC(C(C6CCC5C3(C2)C)(C)C)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)OC)CC(=O)C(C)COC9C(C(C(C(O9)CO)O)O)O","Ingredient_weight": "989.1 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1544","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101243281","DrugBank_id": "NA"}

aquilegioside d

C49H80O20 (988.5243)

{"Ingredient_id": "HBIN016550","Ingredient_name": "aquilegioside d","Alias": "NA","Ingredient_formula": "C49H80O20","Ingredient_Smile": "CC1C(OC2(C1C3(CCC45CC46CCC(C(C6CCC5C3(C2)C)(C)C)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)OC)CC(=O)C(C)COC9C(C(C(C(O9)CO)O)O)O","Ingredient_weight": "989.1 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1545","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101243282","DrugBank_id": "NA"}

1-[(1s,4r,5r,6s,7s,9s,11s,12s,15r,17s,20r)-17-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9-methoxy-4,6,11,16,16-pentamethyl-8-oxahexacyclo[10.9.0.0¹,²⁰.0⁴,¹¹.0⁵,⁹.0¹⁵,²⁰]henicosan-7-yl]-3-methyl-4-{[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butan-2-one

C49H80O20 (988.5243)

1-[(1s,4r,5r,6s,7s,9s,11s,12s,15r,17s,20r)-17-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9-methoxy-4,6,11,16,16-pentamethyl-8-oxahexacyclo[10.9.0.0¹,²⁰.0⁴,¹¹.0⁵,⁹.0¹⁵,²⁰]henicosan-7-yl]-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butan-2-one

C49H80O20 (988.5243)

(3r)-1-[(1s,4r,5r,6s,7s,9s,11s,12s,15r,17s,20r)-17-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9-methoxy-4,6,11,16,16-pentamethyl-8-oxahexacyclo[10.9.0.0¹,²⁰.0⁴,¹¹.0⁵,⁹.0¹⁵,²⁰]henicosan-7-yl]-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butan-2-one

C49H80O20 (988.5243)

(2s,3r,4s,5r)-4,5-dihydroxy-2-{[(1s,3r,6s,8r,9s,11s,12s,14s,15r,16r)-14-hydroxy-7,7,12,16-tetramethyl-15-[(2r,5s)-2-methyl-5-(2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)oxolan-2-yl]-9-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]oxy}oxan-3-yl acetate

C49H80O20 (988.5243)

(3r)-1-[(1s,4r,5r,6s,7s,9s,11s,12s,15r,17s,20r)-17-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9-methoxy-4,6,11,16,16-pentamethyl-8-oxahexacyclo[10.9.0.0¹,²⁰.0⁴,¹¹.0⁵,⁹.0¹⁵,²⁰]henicosan-7-yl]-3-methyl-4-{[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butan-2-one

C49H80O20 (988.5243)

1-(17-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9-methoxy-4,6,11,16,16-pentamethyl-8-oxahexacyclo[10.9.0.0¹,²⁰.0⁴,¹¹.0⁵,⁹.0¹⁵,²⁰]henicosan-7-yl)-3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butan-2-one

C49H80O20 (988.5243)

(3r)-1-[(1s,4r,5r,6s,7s,9s,11s,12s,15r,17s,20r)-17-{[(2r,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9-methoxy-4,6,11,16,16-pentamethyl-8-oxahexacyclo[10.9.0.0¹,²⁰.0⁴,¹¹.0⁵,⁹.0¹⁵,²⁰]henicosan-7-yl]-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butan-2-one

C49H80O20 (988.5243)

(3s)-1-[(1s,4r,5r,6s,7s,9s,11s,12s,15r,17s,20r)-17-{[(2r,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9-methoxy-4,6,11,16,16-pentamethyl-8-oxahexacyclo[10.9.0.0¹,²⁰.0⁴,¹¹.0⁵,⁹.0¹⁵,²⁰]henicosan-7-yl]-3-methyl-4-{[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butan-2-one

C49H80O20 (988.5243)

(2r,3s,5s)-2,3,4,5-tetrahydroxy-6-({[(2s,3s,5s)-2,3,4-trihydroxy-6-(hydroxymethyl)-5-{[(3s,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)oxan-2-yl (1r,3as,5ar,5br,7ar,9r,11ar,11br,13ar,13br)-1-(but-1-en-2-yl)-9-hydroperoxy-5a,5b,8,8,11a-pentamethyl-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate

C49H80O20 (988.5243)

(3r,12s)-12-{[(2r,3r,4s,5s,6r)-3-{[(2s,3r,4s,5s,6r)-3-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s)-2-methylbutanoyl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3-hydroxyhexadecanoic acid

C45H80O23 (988.509)