Glycoside
...
GD093335

Name:
None

Formula:
C22H22O7S

Smiles:
CS[C@@H]1[C@@H](OC(C)=O)O[C@@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

Aglycone:
COC(=O)c1ccccc1.O=C(O)c1ccccc1

Sugarmoiety:
CSC1C(OC(C)=O)OC(O)C1O

Other Identifiers

Properties
HBA: 7 RingCount: 3
HBD: 0 FractionCSP3: 0.32
AlogP: 3.09 Num_rotatable_bonds: 7
MolWt: 430.48 Num_heavy_atoms: 30
TPSA: 88.13 NumAromaticRings: 2

Unique Aglycone
AD00002
Formula: C7H6O2

Smiles:
O=C(O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1
AD00480
Formula: C8H8O2

Smiles:
COC(=O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 1.47 Num_rotatable_bonds: 1
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 26.3 NumAromaticRings: 1

Sugarmoiety
SD04095

CSC1C(OC(C)=O)OC(O)C1O