Glycoside
GD035013
Name:
NoneFormula:
C11H14O5N4Smiles:
OC[C@@H]1O[C@H](c2ccc3c(NO)ncnn23)[C@H](O)[C@H]1OAglycone:
ONc1ncnn2cccc12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 282.26 | Num_heavy_atoms: | 20 |
| TPSA: | 132.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD22188
Formula: C6H6ON4
Smiles:
ONc1ncnn2cccc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.14 | Num_heavy_atoms: | 11 |
| TPSA: | 62.45 | NumAromaticRings: | 2 |
