Glycoside
...
GD030329

Name:
None

Formula:
C26H28O11S

Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(Sc3ccc(O)cc3)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Oc1ccc(Sc2ccc(O)cc2)cc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 1 FractionCSP3: 0.38
AlogP: 3.01 Num_rotatable_bonds: 9
MolWt: 548.57 Num_heavy_atoms: 38
TPSA: 143.89 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
AD17686
Formula: C12H10O2S

Smiles:
Oc1ccc(Sc2ccc(O)cc2)cc1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 3.25 Num_rotatable_bonds: 2
MolWt: 218.28 Num_heavy_atoms: 15
TPSA: 40.46 NumAromaticRings: 2

Sugarmoiety
SD00012

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