Glycoside
GD093557
Name:
NoneFormula:
C12H25O13N3P2Smiles:
Nc1ccn([C@@H]2O[C@H](CO[PH](O)(O)O[PH](O)(O)OC[C@@H](O)CO)[C@@H](O)[C@H]2O)c(=O)n1Aglycone:
CO[PH](O)(O)O[PH](O)(O)OCC(O)CO.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.67 |
| AlogP: | -4.36 | Num_rotatable_bonds: | 10 |
| MolWt: | 481.29 | Num_heavy_atoms: | 30 |
| TPSA: | 259.67 | 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 |
AD40427
Formula: C4H16O9P2
Smiles:
CO[PH](O)(O)O[PH](O)(O)OCC(O)CO| HBA: | 9 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 270.11 | Num_heavy_atoms: | 15 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
