Glycoside
...
GD103889

Name:
None

Formula:
C22H27O7N3S

Smiles:
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O

Aglycone:
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(N)=O

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 5 FractionCSP3: 0.5
AlogP: 0.55 Num_rotatable_bonds: 7
MolWt: 477.54 Num_heavy_atoms: 33
TPSA: 165.16 NumAromaticRings: 2

Unique Aglycone
AD43922
Formula: C16H17O2N3S

Smiles:
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(N)=O
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.31
AlogP: 3.12 Num_rotatable_bonds: 5
MolWt: 315.4 Num_heavy_atoms: 22
TPSA: 89.0 NumAromaticRings: 2

Sugarmoiety
SD00003

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