Glycoside
GD044494
Name:
NoneFormula:
C13H18O5N3Smiles:
OC[C@H]1O[C@H](O)[C@H](Nc2ccc[n+]3cc[nH]c23)[C@@H](O)[C@@H]1OAglycone:
Nc1ccc[n+]2cc[nH]c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 296.3 | Num_heavy_atoms: | 21 |
| TPSA: | 122.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD25039
Formula: C7H8N3
Smiles:
Nc1ccc[n+]2cc[nH]c12| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.16 | Num_heavy_atoms: | 10 |
| TPSA: | 45.91 | NumAromaticRings: | 2 |
