Glycoside
GD022055
Name:
NoneFormula:
C19H16O8N3PCl6Smiles:
Nc1ccn(C2O[C@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 585.98 | Num_heavy_atoms: | 31 |
| TPSA: | 155.36 | 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 |
AD14996
Formula: C11H7O4PCl6
Smiles:
COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 374.8 | Num_heavy_atoms: | 16 |
| TPSA: | 44.76 | NumAromaticRings: | 0 |
