Glycoside
...
GD034018

Name:
None

Formula:
C23H28O9N2S

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

Aglycone:
COC(C)=O.Cc1[nH]c(=S)c(C#N)c(C)c1C

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 0 FractionCSP3: 0.57
AlogP: 2.27 Num_rotatable_bonds: 6
MolWt: 508.55 Num_heavy_atoms: 35
TPSA: 143.15 NumAromaticRings: 1

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
AD14688
Formula: C9H10N2S

Smiles:
Cc1[nH]c(=S)c(C#N)c(C)c1C
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.33
AlogP: 2.54 Num_rotatable_bonds: 0
MolWt: 178.26 Num_heavy_atoms: 12
TPSA: 39.58 NumAromaticRings: 1

Sugarmoiety
SD00012

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