Glycoside
...
GD082258

Name:
None

Formula:
C18H21O7N3S

Smiles:
Cn1nc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)ccc1=O

Aglycone:
Cn1nc(C(=O)Nc2ccc(S)cc2)ccc1=O

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 5 FractionCSP3: 0.39
AlogP: -1.08 Num_rotatable_bonds: 5
MolWt: 423.45 Num_heavy_atoms: 29
TPSA: 154.14 NumAromaticRings: 2

Unique Aglycone
AD36940
Formula: C12H11O2N3S

Smiles:
Cn1nc(C(=O)Nc2ccc(S)cc2)ccc1=O
HBA: 5 RingCount: 2
HBD: 1 FractionCSP3: 0.08
AlogP: 1.32 Num_rotatable_bonds: 2
MolWt: 261.31 Num_heavy_atoms: 18
TPSA: 63.99 NumAromaticRings: 2

Sugarmoiety
SD00003

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