Glycoside
GD041901
Name:
NoneFormula:
C9H12O5N2Smiles:
O=c1ncccn1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1OAglycone:
O=c1nccc[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.2 | Num_heavy_atoms: | 16 |
| TPSA: | 104.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD05444
Formula: C4H4ON2
Smiles:
O=c1nccc[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.09 | Num_heavy_atoms: | 7 |
| TPSA: | 45.75 | NumAromaticRings: | 1 |
