Glycoside
...
GD017109

Name:
None

Formula:
C28H30O9N4S

Smiles:
CC(=O)OCC1OC(n2c(C)c(N=Nc3ccccc3)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)c1N=Nc1ccccc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 0 FractionCSP3: 0.43
AlogP: 4.38 Num_rotatable_bonds: 8
MolWt: 598.63 Num_heavy_atoms: 42
TPSA: 167.87 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
AD02781
Formula: C14H12N4S

Smiles:
Cc1[nH]c(=S)c(C#N)c(C)c1N=Nc1ccccc1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.14
AlogP: 4.65 Num_rotatable_bonds: 2
MolWt: 268.35 Num_heavy_atoms: 19
TPSA: 64.3 NumAromaticRings: 2

Sugarmoiety
SD00012

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