Glycoside
...
GD015728

Name:
None

Formula:
C24H24O8N3Cl

Smiles:
COc1ccc2nc3c(c(C)nn3[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c(Cl)c2c1

Aglycone:
COC(C)=O.COc1ccc2nc3c(c(Cl)c2c1)C(C)=N[N]3

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

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 0 FractionCSP3: 0.43
AlogP: 2.88 Num_rotatable_bonds: 6
MolWt: 505.91 Num_heavy_atoms: 35
TPSA: 128.07 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
AD02162
Formula: C13H9ON3Cl

Smiles:
COc1ccc2nc3c(c(Cl)c2c1)C(C)=N[N]3
HBA: 4 RingCount: 3
HBD: 0 FractionCSP3: 0.17
AlogP: 2.87 Num_rotatable_bonds: 1
MolWt: 246.68 Num_heavy_atoms: 17
TPSA: 48.58 NumAromaticRings: 2

Sugarmoiety
SD00105

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