Glycoside
...
GD078611

Name:
None

Formula:
C18H25O5N3S

Smiles:
Cc1nc(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c2c3c(sc2n1)C[C@H](C)CC3

Aglycone:
Cc1nc(N)c2c3c(sc2n1)CC(C)CC3

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

Other Identifiers

Properties
HBA: 8 RingCount: 4
HBD: 5 FractionCSP3: 0.67
AlogP: 0.34 Num_rotatable_bonds: 3
MolWt: 395.48 Num_heavy_atoms: 27
TPSA: 127.96 NumAromaticRings: 2

Unique Aglycone
AD36123
Formula: C12H15N3S

Smiles:
Cc1nc(N)c2c3c(sc2n1)CC(C)CC3
HBA: 3 RingCount: 3
HBD: 2 FractionCSP3: 0.5
AlogP: 2.71 Num_rotatable_bonds: 0
MolWt: 233.34 Num_heavy_atoms: 16
TPSA: 51.8 NumAromaticRings: 2

Sugarmoiety
SD00003

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