Glycoside
...
GD086045

Name:
None

Formula:
C18H18O7N3Cl

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2ccc3c(Cl)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Clc1ncnc2c1C=C[N]2

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 0 FractionCSP3: 0.47
AlogP: 1.41 Num_rotatable_bonds: 5
MolWt: 411.8 Num_heavy_atoms: 28
TPSA: 118.84 NumAromaticRings: 2

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
AD04809
Formula: C7H3N3Cl

Smiles:
Clc1ncnc2c1C=C[N]2
HBA: 3 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 1.35 Num_rotatable_bonds: 0
MolWt: 152.56 Num_heavy_atoms: 10
TPSA: 39.88 NumAromaticRings: 1

Sugarmoiety
SD00105

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