Glycoside
...
GD005184

Name:
None

Formula:
C23H24O7N4

Smiles:
CC(=O)OC[C@@H]1O[C@H](Cn2cnc3c(-c4ccccc4)ncnc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Cn1cnc2c(-c3ccccc3)ncnc21

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

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 0 FractionCSP3: 0.39
AlogP: 1.69 Num_rotatable_bonds: 7
MolWt: 468.47 Num_heavy_atoms: 34
TPSA: 131.73 NumAromaticRings: 3

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD04429
Formula: C12H10N4

Smiles:
Cn1cnc2c(-c3ccccc3)ncnc21
HBA: 4 RingCount: 3
HBD: 0 FractionCSP3: 0.08
AlogP: 2.03 Num_rotatable_bonds: 1
MolWt: 210.24 Num_heavy_atoms: 16
TPSA: 43.6 NumAromaticRings: 3

Sugarmoiety
SD00105

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