Glycoside
...
GD092886

Name:
None

Formula:
C20H20O6N4S

Smiles:
COc1ccc(-c2c(C#N)c(N)n([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c(=S)c2C#N)cc1

Aglycone:
COc1ccc(-c2c(C#N)c(N)[nH]c(=S)c2C#N)cc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 6 FractionCSP3: 0.35
AlogP: 0.19 Num_rotatable_bonds: 4
MolWt: 444.47 Num_heavy_atoms: 31
TPSA: 177.91 NumAromaticRings: 2

Unique Aglycone
AD05141
Formula: C14H10ON4S

Smiles:
COc1ccc(-c2c(C#N)c(N)[nH]c(=S)c2C#N)cc1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.07
AlogP: 2.75 Num_rotatable_bonds: 2
MolWt: 282.33 Num_heavy_atoms: 20
TPSA: 98.62 NumAromaticRings: 2

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O