Glycoside
GD024696
Name:
NoneFormula:
C20H21O15N2P3Cl2Smiles:
O=C(Cn1c(=O)ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@H](O)[C@H]2O)c1=O)c1ccccc1Aglycone:
COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O.O=C(Cn1c(=O)cc[nH]c1=O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 11 |
| MolWt: | 669.19 | Num_heavy_atoms: | 40 |
| TPSA: | 261.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD00072
Formula: C4H7O9P3Cl2
Smiles:
COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 338.9 | Num_heavy_atoms: | 16 |
| TPSA: | 150.59 | NumAromaticRings: | 0 |
AD00584
Formula: C12H10O3N2
Smiles:
O=C(Cn1c(=O)cc[nH]c1=O)c1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 230.22 | Num_heavy_atoms: | 17 |
| TPSA: | 71.93 | NumAromaticRings: | 2 |
