Glycoside
GD023082
Name:
NoneFormula:
C12H17O4N5SSmiles:
CCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CCSC1=Nc2c(N)ncnc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 327.37 | Num_heavy_atoms: | 22 |
| TPSA: | 139.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD03746
Formula: C7H8N5S
Smiles:
CCSC1=Nc2c(N)ncnc2[N]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.24 | Num_heavy_atoms: | 13 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
