Glycoside
...
GD034059

Name:
None

Formula:
C21H16O7N2Cl3Br

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2c(Br)nc3c(Cl)c(Cl)c(Cl)cc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Clc1cc2c(c(Cl)c1Cl)N=C(Br)[N]2

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

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 0 FractionCSP3: 0.44
AlogP: 4.08 Num_rotatable_bonds: 5
MolWt: 558.6 Num_heavy_atoms: 31
TPSA: 105.95 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
AD21694
Formula: C10HN2Cl3Br

Smiles:
Clc1cc2c(c(Cl)c1Cl)N=C(Br)[N]2
HBA: 2 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 4.28 Num_rotatable_bonds: 0
MolWt: 299.36 Num_heavy_atoms: 13
TPSA: 26.46 NumAromaticRings: 1

Sugarmoiety
SD00105

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