Glycoside
GD028392
Name:
NoneFormula:
C24H27O9N3SSmiles:
COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1cccc(C=CC(=O)C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1cccc(C=CC(C)=O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 533.56 | Num_heavy_atoms: | 37 |
| TPSA: | 183.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD09834
Formula: C18H17O4N3S
Smiles:
COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1cccc(C=CC(C)=O)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 371.42 | Num_heavy_atoms: | 26 |
| TPSA: | 93.5 | NumAromaticRings: | 2 |
