Glycoside
...
GD003825

Name:
None

Formula:
C29H32O9N4S

Smiles:
CC(=O)OCC1OC(n2c(C)c(N=Nc3ccc(C)cc3)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.Cc1ccc(N=Nc2c(C)[nH]c(=S)c(C#N)c2C)cc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 0 FractionCSP3: 0.45
AlogP: 4.69 Num_rotatable_bonds: 8
MolWt: 612.66 Num_heavy_atoms: 43
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
AD03417
Formula: C15H14N4S

Smiles:
Cc1ccc(N=Nc2c(C)[nH]c(=S)c(C#N)c2C)cc1
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.2
AlogP: 4.96 Num_rotatable_bonds: 2
MolWt: 282.37 Num_heavy_atoms: 20
TPSA: 64.3 NumAromaticRings: 2

Sugarmoiety
SD00012

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