Glycoside
...
GD005591

Name:
None

Formula:
C31H35O12NS

Smiles:
CC(=O)OC[C@@H]1O[C@H](CC(=O)C=Cc2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(=O)C=Cc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.39
AlogP: 2.89 Num_rotatable_bonds: 12
MolWt: 645.68 Num_heavy_atoms: 45
TPSA: 177.67 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
AD04730
Formula: C17H17O3NS

Smiles:
CC(=O)C=Cc1cccc(NS(=O)(=O)c2ccc(C)cc2)c1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.12
AlogP: 3.4 Num_rotatable_bonds: 5
MolWt: 315.39 Num_heavy_atoms: 22
TPSA: 63.24 NumAromaticRings: 2

Sugarmoiety
SD00012

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