Glycoside
...
GD122156

Name:
6-{[8,10-bis(acetyloxy)-9-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-{[(3-methylbutanoyl)oxy]methyl}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:
C51H80O19

Smiles:
CC(=O)OC1C(O)C2(COC(=O)CC(C)C)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C

Aglycone:
CC(=O)OC1C(O)C2(COC(=O)CC(C)C)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 8 FractionCSP3: 0.88
AlogP: 2.53 Num_rotatable_bonds: 12
MolWt: 997.18 Num_heavy_atoms: 70
TPSA: 294.73 NumAromaticRings: 0

Unique Aglycone
AD49206
Formula: C39H62O8

Smiles:
CC(=O)OC1C(O)C2(COC(=O)CC(C)C)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C
HBA: 8 RingCount: 5
HBD: 2 FractionCSP3: 0.87
AlogP: 6.79 Num_rotatable_bonds: 6
MolWt: 658.92 Num_heavy_atoms: 47
TPSA: 119.36 NumAromaticRings: 0

Sugarmoiety
SD00540

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O