Glycoside
...
GD117290

Name:
10-({4-[(6-acetyl-3,4,5-trihydroxyoxan-2-yl)oxy]-5-hydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-9-(hydroxymethyl)-6a,6b,9,12a-tetramethyl-2-methylidene-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Formula:
C46H70O17

Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(C(C)=O)C(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1

Aglycone:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC(=O)C1OC(OC2C(O)COC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 9 FractionCSP3: 0.87
AlogP: 1.08 Num_rotatable_bonds: 9
MolWt: 895.05 Num_heavy_atoms: 63
TPSA: 271.59 NumAromaticRings: 0

Unique Aglycone
AD19145
Formula: C29H44O4

Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.83
AlogP: 5.74 Num_rotatable_bonds: 2
MolWt: 456.67 Num_heavy_atoms: 33
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD05025

CC(=O)C1OC(OC2C(O)COC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O