Glycoside
...
GD006610

Name:
None

Formula:
C25H26O9N4

Smiles:
CC(=O)OC[C@H](OC(C)=O)[C@@H]1O[C@H](n2cnc3c(-c4ccccc4)ncnc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
C1=Nc2c(ncnc2-c2ccccc2)[N]1.CC(=O)OCCOC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 0 FractionCSP3: 0.4
AlogP: 1.75 Num_rotatable_bonds: 8
MolWt: 526.5 Num_heavy_atoms: 38
TPSA: 158.03 NumAromaticRings: 3

Unique Aglycone
AD05457
Formula: C11H7N4

Smiles:
C1=Nc2c(ncnc2-c2ccccc2)[N]1
HBA: 4 RingCount: 3
HBD: 0 FractionCSP3: 0.0
AlogP: 2.05 Num_rotatable_bonds: 1
MolWt: 195.21 Num_heavy_atoms: 15
TPSA: 52.24 NumAromaticRings: 2
AD05458
Formula: C6H10O4

Smiles:
CC(=O)OCCOC(C)=O
HBA: 4 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.11 Num_rotatable_bonds: 3
MolWt: 146.14 Num_heavy_atoms: 10
TPSA: 52.6 NumAromaticRings: 0

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O