Glycoside
...
GD001432

Name:
None

Formula:
C27H26O10N3ClS

Smiles:
CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)n1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 0 FractionCSP3: 0.42
AlogP: 2.41 Num_rotatable_bonds: 8
MolWt: 608.03 Num_heavy_atoms: 41
TPSA: 173.11 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
AD01440
Formula: C13H8ON3ClS

Smiles:
CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.08
AlogP: 2.68 Num_rotatable_bonds: 2
MolWt: 277.74 Num_heavy_atoms: 18
TPSA: 69.54 NumAromaticRings: 2

Sugarmoiety
SD00012

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