Glycoside
...
GD000294

Name:
None

Formula:
C28H30O9N2S

Smiles:
CC(=O)OCC1OC(n2c(-c3ccccc3)c(C)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.Cc1c(-c2ccccc2)[nH]c(=S)c(C#N)c1C

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: 3.63 Num_rotatable_bonds: 7
MolWt: 570.62 Num_heavy_atoms: 40
TPSA: 143.15 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
AD00339
Formula: C14H12N2S

Smiles:
Cc1c(-c2ccccc2)[nH]c(=S)c(C#N)c1C
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.14
AlogP: 3.9 Num_rotatable_bonds: 1
MolWt: 240.33 Num_heavy_atoms: 17
TPSA: 39.58 NumAromaticRings: 2

Sugarmoiety
SD00012

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