Glycoside
...
GD150647

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

Formula:
C51H80O18

Smiles:
CC(=O)OC1C(OC(=O)CC(C)C)C2(CO)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C

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

Sugarmoiety:
CC1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 7 FractionCSP3: 0.88
AlogP: 3.56 Num_rotatable_bonds: 11
MolWt: 981.18 Num_heavy_atoms: 69
TPSA: 274.5 NumAromaticRings: 0

Unique Aglycone
AD53147
Formula: C39H62O8

Smiles:
CC(=O)OC1C(OC(=O)CC(C)C)C2(CO)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
SD00497

CC1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C(O)C1O