Glycoside
...
GD069181

Name:
None

Formula:
C16H19O7NS

Smiles:
COc1ccc2cc(C(=O)N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)sc2c1

Aglycone:
COc1ccc2cc(C(N)=O)sc2c1

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

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 5 FractionCSP3: 0.44
AlogP: -0.56 Num_rotatable_bonds: 4
MolWt: 369.4 Num_heavy_atoms: 25
TPSA: 128.48 NumAromaticRings: 2

Unique Aglycone
AD32816
Formula: C10H9O2NS

Smiles:
COc1ccc2cc(C(N)=O)sc2c1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.1
AlogP: 2.01 Num_rotatable_bonds: 2
MolWt: 207.25 Num_heavy_atoms: 14
TPSA: 52.32 NumAromaticRings: 2

Sugarmoiety
SD00003

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