Glycoside
...
GD030628

Name:
None

Formula:
C29H26O8N3Cl

Smiles:
COc1ccc2nc3c(c(C)nn3[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@H](OC(C)=O)[C@H]3OC(C)=O)c(Cl)c2c1

Aglycone:
COC(=O)c1ccccc1.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: 5
HBD: 0 FractionCSP3: 0.32
AlogP: 4.17 Num_rotatable_bonds: 7
MolWt: 567.98 Num_heavy_atoms: 40
TPSA: 128.07 NumAromaticRings: 4

Unique Aglycone
AD00480
Formula: C8H8O2

Smiles:
COC(=O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 1.47 Num_rotatable_bonds: 1
MolWt: 136.15 Num_heavy_atoms: 10
TPSA: 26.3 NumAromaticRings: 1
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