Glycoside
...
GD111528

Name:
None

Formula:
C26H28O10N2S

Smiles:
CCc1cc(-c2ccco2)c(C#N)c(=S)n1[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CCc1cc(-c2ccco2)c(C#N)c(=S)[nH]1.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 0 FractionCSP3: 0.46
AlogP: 3.17 Num_rotatable_bonds: 8
MolWt: 560.58 Num_heavy_atoms: 39
TPSA: 156.29 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
AD44722
Formula: C12H10ON2S

Smiles:
CCc1cc(-c2ccco2)c(C#N)c(=S)[nH]1
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.17
AlogP: 3.44 Num_rotatable_bonds: 2
MolWt: 230.29 Num_heavy_atoms: 16
TPSA: 52.72 NumAromaticRings: 2

Sugarmoiety
SD00012

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