Glycoside
GD020768
Name:
NoneFormula:
C16H17O4N3S2Smiles:
CSc1ncnc2c1c(-c1cccs1)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CSc1ncnc2c1C(c1cccs1)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 379.46 | Num_heavy_atoms: | 25 |
| TPSA: | 100.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD14286
Formula: C11H8N3S2
Smiles:
CSc1ncnc2c1C(c1cccs1)=C[N]2| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.09 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.34 | Num_heavy_atoms: | 16 |
| TPSA: | 39.88 | NumAromaticRings: | 2 |
