Glycoside
...
GD078582

Name:
None

Formula:
C17H25O5N3S

Smiles:
Cc1nc(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c2c(CC(C)C)csc2n1

Aglycone:
Cc1nc(N)c2c(CC(C)C)csc2n1

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

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 5 FractionCSP3: 0.65
AlogP: 0.41 Num_rotatable_bonds: 5
MolWt: 383.47 Num_heavy_atoms: 26
TPSA: 127.96 NumAromaticRings: 2

Unique Aglycone
AD36108
Formula: C11H15N3S

Smiles:
Cc1nc(N)c2c(CC(C)C)csc2n1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.45
AlogP: 2.78 Num_rotatable_bonds: 2
MolWt: 221.33 Num_heavy_atoms: 15
TPSA: 51.8 NumAromaticRings: 2

Sugarmoiety
SD00003

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