Glycoside
...
GD105226

Name:
None

Formula:
C24H26O9S

Smiles:
CC(=O)OC[C@@H]1O[C@@H](Sc2ccc3ccccc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Sc1ccc2ccccc2c1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 0 FractionCSP3: 0.42
AlogP: 3.02 Num_rotatable_bonds: 7
MolWt: 490.53 Num_heavy_atoms: 34
TPSA: 114.43 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD10274
Formula: C10H8S

Smiles:
Sc1ccc2ccccc2c1
HBA: 0 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 3.13 Num_rotatable_bonds: 0
MolWt: 160.24 Num_heavy_atoms: 11
TPSA: 0.0 NumAromaticRings: 2

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O