Glycoside
...
GD025853

Name:
None

Formula:
C32H48O10

Smiles:
CCC1=CCC2=CC(=O)O[C@H](O[C@@H]3O[C@H](CC)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]3OC(=O)C(C)(C)C)[C@H]12

Aglycone:
CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CCC1=CCC2=CC(=O)OC(O)C12

Sugarmoiety:
CCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 0 FractionCSP3: 0.75
AlogP: 5.18 Num_rotatable_bonds: 7
MolWt: 592.73 Num_heavy_atoms: 42
TPSA: 123.66 NumAromaticRings: 0

Unique Aglycone
AD03091
Formula: C5H10O2

Smiles:
CC(C)(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 1.12 Num_rotatable_bonds: 0
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD17100
Formula: C10H12O3

Smiles:
CCC1=CCC2=CC(=O)OC(O)C12
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 1.14 Num_rotatable_bonds: 1
MolWt: 180.2 Num_heavy_atoms: 13
TPSA: 46.53 NumAromaticRings: 0

Sugarmoiety
SD00243

CCC1OC(O)C(O)C(O)C1O