Glycoside
...
GD007136

Name:
None

Formula:
C24H31O9N3Cl2

Smiles:
CCOC(=O)c1cc(CN(CCCl)CCCl)nn1[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CCOC(=O)C1=CC(CN(CCCl)CCCl)=N[N]1.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 0 FractionCSP3: 0.68
AlogP: 1.66 Num_rotatable_bonds: 13
MolWt: 552.41 Num_heavy_atoms: 36
TPSA: 135.49 NumAromaticRings: 1

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
AD05833
Formula: C13H16O2N3Cl2

Smiles:
CCOC(=O)C1=CC(CN(CCCl)CCCl)=N[N]1
HBA: 5 RingCount: 1
HBD: 0 FractionCSP3: 0.64
AlogP: 1.19 Num_rotatable_bonds: 8
MolWt: 293.17 Num_heavy_atoms: 18
TPSA: 56.0 NumAromaticRings: 0

Sugarmoiety
SD00105

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