Glycoside
...
GD102304

Name:
None

Formula:
C21H25O9NS2

Smiles:
COc1ccc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1S(C)(=O)=O

Aglycone:
COc1ccc(C(=O)Nc2ccc(S)cc2)cc1S(C)(=O)=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 5 FractionCSP3: 0.38
AlogP: 0.24 Num_rotatable_bonds: 7
MolWt: 499.56 Num_heavy_atoms: 33
TPSA: 162.62 NumAromaticRings: 2

Unique Aglycone
AD43299
Formula: C15H15O4NS2

Smiles:
COc1ccc(C(=O)Nc2ccc(S)cc2)cc1S(C)(=O)=O
HBA: 5 RingCount: 2
HBD: 1 FractionCSP3: 0.13
AlogP: 2.64 Num_rotatable_bonds: 4
MolWt: 337.42 Num_heavy_atoms: 22
TPSA: 72.47 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O