Glycoside
...
GD078745

Name:
None

Formula:
C18H23O5N2S

Smiles:
Cc1cc(Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)cc[nH+]1

Aglycone:
Cc1cc(Nc2ccc(S)cc2)cc[nH+]1

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

Other Identifiers

Properties
HBA: 7 RingCount: 3
HBD: 6 FractionCSP3: 0.39
AlogP: 0.44 Num_rotatable_bonds: 5
MolWt: 379.46 Num_heavy_atoms: 26
TPSA: 116.32 NumAromaticRings: 2

Unique Aglycone
AD36192
Formula: C12H13N2S

Smiles:
Cc1cc(Nc2ccc(S)cc2)cc[nH+]1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.08
AlogP: 2.84 Num_rotatable_bonds: 2
MolWt: 217.32 Num_heavy_atoms: 15
TPSA: 26.17 NumAromaticRings: 2

Sugarmoiety
SD00003

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