Glycoside
...
GD010093

Name:
None

Formula:
C23H25O9N4ClS

Smiles:
CC(=O)OC[C@@H]1O[C@H](Sc2nnc(-c3ccc(Cl)cc3)n2N)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Nn1c(S)nnc1-c1ccc(Cl)cc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 2 FractionCSP3: 0.45
AlogP: 1.49 Num_rotatable_bonds: 8
MolWt: 556.98 Num_heavy_atoms: 37
TPSA: 171.16 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
AD07842
Formula: C9H7N4ClS

Smiles:
Nn1c(S)nnc1-c1ccc(Cl)cc1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 1.6 Num_rotatable_bonds: 1
MolWt: 226.69 Num_heavy_atoms: 14
TPSA: 56.73 NumAromaticRings: 2

Sugarmoiety
SD00012

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