Glycoside
...
GD012626

Name:
None

Formula:
C20H17O7N2Cl2Br

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Clc1cc2c(cc1Cl)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: 3.43 Num_rotatable_bonds: 5
MolWt: 524.15 Num_heavy_atoms: 30
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
AD01427
Formula: C9H2N2Cl2Br

Smiles:
Clc1cc2c(cc1Cl)N=C(Br)[N]2
HBA: 2 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 3.63 Num_rotatable_bonds: 0
MolWt: 264.92 Num_heavy_atoms: 12
TPSA: 26.46 NumAromaticRings: 1

Sugarmoiety
SD00105

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