Glycoside
...
GD025294

Name:
None

Formula:
C18H22O6N4S

Smiles:
CSC[C@@H]1O[C@H](n2ccc3c(NC(C)=O)ncnc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(=O)Nc1ncnc2c1C=C[N]2

Sugarmoiety:
CSCC1OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 1 FractionCSP3: 0.5
AlogP: 1.51 Num_rotatable_bonds: 6
MolWt: 422.46 Num_heavy_atoms: 29
TPSA: 121.64 NumAromaticRings: 2

Unique Aglycone
AD16788
Formula: C8H7ON4

Smiles:
CC(=O)Nc1ncnc2c1C=C[N]2
HBA: 5 RingCount: 2
HBD: 1 FractionCSP3: 0.12
AlogP: 0.66 Num_rotatable_bonds: 1
MolWt: 175.17 Num_heavy_atoms: 13
TPSA: 68.98 NumAromaticRings: 1

Sugarmoiety
SD02540

CSCC1OC(O)C(OC(C)=O)C1OC(C)=O