Glycoside
GD023952
Name:
LX-2931Formula:
C9H15O5N3Smiles:
CC(=NO)c1nc([C@H](O)[C@H](O)[C@H](O)CO)c[nH]1Aglycone:
CC(=NO)c1ncc[nH]1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 245.24 | Num_heavy_atoms: | 17 |
| TPSA: | 142.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD16053
Formula: C5H7ON3
Smiles:
CC(=NO)c1ncc[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 61.27 | NumAromaticRings: | 1 |
