Glycoside
GD025148
Name:
NoneFormula:
C32H36O9N6PClSmiles:
C[C@H](NP(=O)(N[C@H](C)C(=O)OCc1ccccc1)OC[C@@H]1O[C@H](c2cc(Cl)c3c(N)ncnn23)[C@H](O)[C@H]1O)C(=O)OCc1ccccc1Aglycone:
COP(=O)(NC(C)C(=O)OCc1ccccc1)NC(C)C(=O)OCc1ccccc1.Nc1ncnn2ccc(Cl)c12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 14 |
| MolWt: | 703.09 | Num_heavy_atoms: | 48 |
| TPSA: | 208.86 | NumAromaticRings: | 4 |
Unique Aglycone
AD01703
Formula: C21H27O6N2P
Smiles:
COP(=O)(NC(C)C(=O)OCc1ccccc1)NC(C)C(=O)OCc1ccccc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 11 |
| MolWt: | 434.43 | Num_heavy_atoms: | 30 |
| TPSA: | 102.96 | NumAromaticRings: | 2 |
AD06340
Formula: C7H5N4Cl
Smiles:
Nc1ncnn2ccc(Cl)c12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 0 |
| MolWt: | 168.59 | Num_heavy_atoms: | 11 |
| TPSA: | 56.21 | NumAromaticRings: | 2 |
