Glycoside
GD008285
Name:
NoneFormula:
C12H20O10N3PSmiles:
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OCC(O)CO)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)(O)OCC(O)CO.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -3.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 397.28 | Num_heavy_atoms: | 26 |
| TPSA: | 206.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD06633
Formula: C4H11O6P
Smiles:
COP(=O)(O)OCC(O)CO| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 186.1 | Num_heavy_atoms: | 11 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
