Glycoside
GD018557
Name:
NoneFormula:
C11H13O4N3SSmiles:
OC[C@@H]1O[C@H](n2ccc3c(S)ncnc32)[C@H](O)[C@H]1OAglycone:
Sc1ncnc2c1C=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 283.31 | Num_heavy_atoms: | 19 |
| TPSA: | 100.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD13070
Formula: C6H4N3S
Smiles:
Sc1ncnc2c1C=C[N]2| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.19 | Num_heavy_atoms: | 10 |
| TPSA: | 39.88 | NumAromaticRings: | 1 |
