Glycoside
...
GD027784

Name:
None

Formula:
C24H23O8N6Cl

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cnc3c(NC(=O)Nc4ccccc4Cl)ncnc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C(Nc1ccccc1Cl)Nc1ncnc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 2 FractionCSP3: 0.35
AlogP: 2.45 Num_rotatable_bonds: 7
MolWt: 546.92 Num_heavy_atoms: 38
TPSA: 172.86 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
AD02462
Formula: C13H8ON6Cl

Smiles:
O=C(Nc1ccccc1Cl)Nc1ncnc2c1N=C[N]2
HBA: 7 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 2.68 Num_rotatable_bonds: 2
MolWt: 287.69 Num_heavy_atoms: 20
TPSA: 93.37 NumAromaticRings: 2

Sugarmoiety
SD00105

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