Glycoside
...
GD102434

Name:
None

Formula:
C20H21O7N2ClS

Smiles:
COc1cncc(Cl)c1C(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1

Aglycone:
COc1cncc(Cl)c1C(=O)Nc1ccc(S)cc1

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

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 5 FractionCSP3: 0.37
AlogP: 0.89 Num_rotatable_bonds: 6
MolWt: 456.9 Num_heavy_atoms: 30
TPSA: 141.37 NumAromaticRings: 2

Unique Aglycone
AD43358
Formula: C14H11O2N2ClS

Smiles:
COc1cncc(Cl)c1C(=O)Nc1ccc(S)cc1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.08
AlogP: 3.28 Num_rotatable_bonds: 3
MolWt: 294.76 Num_heavy_atoms: 19
TPSA: 51.22 NumAromaticRings: 2

Sugarmoiety
SD00003

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