Glycoside
GD014876
Name:
NoneFormula:
C19H21O8N3PClSmiles:
Nc1ccn([C@@H]2O[C@H](COP3(=O)OCC[C@H](c4cccc(Cl)c4)O3)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COP1(=O)OCCC(c2cccc(Cl)c2)O1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 473.81 | Num_heavy_atoms: | 31 |
| TPSA: | 155.36 | NumAromaticRings: | 2 |
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 |
AD04023
Formula: C11H12O4PCl
Smiles:
COP1(=O)OCCC(c2cccc(Cl)c2)O1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 3.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.63 | Num_heavy_atoms: | 16 |
| TPSA: | 44.76 | NumAromaticRings: | 1 |
