Glycoside
...
GD124264

Name:
5-{[8-(acetyloxy)-9-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)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}-2,4-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1-carboxylic acid

Formula:
C51H82O19

Smiles:
CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(OC5CC(C(=O)O)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(C)(C)C4CCC32C)C2CC(C)(C)CC(O)C12COC1OC(C)C(O)C(O)C1O

Aglycone:
CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(OC5CC(C(=O)O)C(O)C(O)C5O)C(C)(C)C4CCC32C)C2CC(C)(C)CC(O)C12CO

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 11 FractionCSP3: 0.92
AlogP: 0.91 Num_rotatable_bonds: 10
MolWt: 999.2 Num_heavy_atoms: 70
TPSA: 312.05 NumAromaticRings: 0

Unique Aglycone
AD50190
Formula: C39H62O10

Smiles:
CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(OC5CC(C(=O)O)C(O)C(O)C5O)C(C)(C)C4CCC32C)C2CC(C)(C)CC(O)C12CO
HBA: 10 RingCount: 6
HBD: 6 FractionCSP3: 0.9
AlogP: 4.23 Num_rotatable_bonds: 5
MolWt: 690.91 Num_heavy_atoms: 49
TPSA: 173.98 NumAromaticRings: 0

Sugarmoiety
SD00170

CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O