Glycoside
GD110058
Name:
NoneFormula:
C19H29O12N5F3P3Cl2S2Smiles:
CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@H]1O[C@@H](CO[PH](O)(O)O[PH](O)(O)C(Cl)(Cl)P(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
CO[PH](O)(O)O[PH](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: | 9 | FractionCSP3: | 0.71 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 15 |
| MolWt: | 780.4 | Num_heavy_atoms: | 44 |
| TPSA: | 262.23 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD44612
Formula: C4H11O9P3Cl2
Smiles:
CO[PH](O)(O)O[PH](O)(O)C(Cl)(Cl)P(=O)(O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 342.93 | Num_heavy_atoms: | 16 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
