Glycoside
GD038713
Name:
n-pyridoxyl-2,3-dihydroxyaspartic acid-5-monophosphateFormula:
C12H17O11N2PSmiles:
Cc1ncc(COP(=O)(O)O)c(CN[C@@](O)(C(=O)O)[C@@H](O)C(=O)O)c1OAglycone:
Cc1ncc(COP(=O)(O)O)c(CN)c1OSugarmoiety:
O=C(O)C(O)C(O)(O)C(=O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 396.25 | Num_heavy_atoms: | 26 |
| TPSA: | 226.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD23744
Formula: C8H13O5N2P
Smiles:
Cc1ncc(COP(=O)(O)O)c(CN)c1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 248.17 | Num_heavy_atoms: | 16 |
| TPSA: | 125.9 | NumAromaticRings: | 1 |
