Glycoside
GD024885
Name:
CANGRELOR TETRASODIUMFormula:
C19H21O12N5F3P3Cl2S2Smiles:
CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-])[C@H](O)[C@H]1OAglycone:
COP(=O)([O-])OP(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-].CSCCNc1nc(SCCC(F)(F)F)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 15 |
| MolWt: | 772.33 | Num_heavy_atoms: | 44 |
| TPSA: | 267.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD05170
Formula: C4H3O9P3Cl2
Smiles:
COP(=O)([O-])OP(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-]| HBA: | 9 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 334.87 | Num_heavy_atoms: | 16 |
| TPSA: | 161.91 | NumAromaticRings: | 0 |
AD13407
Formula: C11H13N5F3S2
Smiles:
CSCCNc1nc(SCCC(F)(F)F)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 336.39 | Num_heavy_atoms: | 21 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
