Glycoside
...
GD012212

Name:
None

Formula:
C28H28O9N4S

Smiles:
CC(=O)O[C@@H]1OC(n2nc(-c3ccccc3)n(N=Cc3ccc(O)cc3)c2=S)[C@H](C(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
Oc1ccc(C=Nn2c(-c3ccccc3)n[nH]c2=S)cc1

Sugarmoiety:
CC(=O)OC1OC(O)C(C(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 1 FractionCSP3: 0.32
AlogP: 3.16 Num_rotatable_bonds: 8
MolWt: 596.62 Num_heavy_atoms: 42
TPSA: 160.54 NumAromaticRings: 3

Unique Aglycone
AD09222
Formula: C15H12ON4S

Smiles:
Oc1ccc(C=Nn2c(-c3ccccc3)n[nH]c2=S)cc1
HBA: 5 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 3.2 Num_rotatable_bonds: 3
MolWt: 296.36 Num_heavy_atoms: 21
TPSA: 66.2 NumAromaticRings: 3

Sugarmoiety
SD01726

CC(=O)OC1OC(O)C(C(C)=O)C(OC(C)=O)C1OC(C)=O