Glycoside
...
GD134977

Name:
6-{[5-formyl-8-hydroxy-8a-(hydroxymethyl)-5,6a,6b,11,11,14b-hexamethyl-9,10-bis[(2-methylbut-2-enoyl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C51H76O18

Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6O)CC5C(C)(C=O)CC43C)C2CC1(C)C

Aglycone:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)CC5C(C)(C=O)CC43C)C2CC1(C)C

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 8 FractionCSP3: 0.8
AlogP: 2.65 Num_rotatable_bonds: 11
MolWt: 977.15 Num_heavy_atoms: 69
TPSA: 285.5 NumAromaticRings: 0

Unique Aglycone
AD54602
Formula: C40H60O8

Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)CC5C(C)(C=O)CC43C)C2CC1(C)C
HBA: 8 RingCount: 5
HBD: 3 FractionCSP3: 0.78
AlogP: 6.27 Num_rotatable_bonds: 6
MolWt: 668.91 Num_heavy_atoms: 48
TPSA: 130.36 NumAromaticRings: 0

Sugarmoiety
SD00379

O=C(O)C1OC(O)C(O)C(OC2OCC(O)C(O)C2O)C1O