Glycoside
GD069340
Name:
NoneFormula:
C15H19O5N3SSmiles:
Cc1cc(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nc(-c2cccs2)n1Aglycone:
Cc1cc(N)nc(-c2cccs2)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 353.4 | Num_heavy_atoms: | 24 |
| TPSA: | 127.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD32910
Formula: C9H9N3S
Smiles:
Cc1cc(N)nc(-c2cccs2)n1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 191.26 | Num_heavy_atoms: | 13 |
| TPSA: | 51.8 | NumAromaticRings: | 2 |
