Glycoside
GD078623
Name:
NoneFormula:
C16H17O6N3SSmiles:
OC[C@H]1O[C@H](O)[C@H](Nc2ncnc3scc(-c4ccco4)c23)[C@@H](O)[C@@H]1OAglycone:
Nc1ncnc2scc(-c3ccco3)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 379.39 | Num_heavy_atoms: | 26 |
| TPSA: | 141.1 | NumAromaticRings: | 3 |
Unique Aglycone
AD36128
Formula: C10H7ON3S
Smiles:
Nc1ncnc2scc(-c3ccco3)c12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 217.25 | Num_heavy_atoms: | 15 |
| TPSA: | 64.94 | NumAromaticRings: | 3 |
