Glycoside
...
GD109043

Name:
None

Formula:
C24H24O10NCl

Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(Cl)c3cccnc23)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Oc1ccc(Cl)c2cccnc12

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 0 FractionCSP3: 0.43
AlogP: 2.35 Num_rotatable_bonds: 7
MolWt: 509.9 Num_heavy_atoms: 35
TPSA: 136.55 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
AD35489
Formula: C10H6ONCl

Smiles:
Oc1ccc(Cl)c2cccnc12
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 2.59 Num_rotatable_bonds: 0
MolWt: 179.61 Num_heavy_atoms: 12
TPSA: 33.12 NumAromaticRings: 2

Sugarmoiety
SD00012

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