Glycoside
GD013539
Name:
NoneFormula:
C18H20O12N5F6P3Cl2SSmiles:
O=P(O)(OC[C@@H]1O[C@H](n2cnc3c(NCC(F)(F)F)nc(SCCC(F)(F)F)nc32)[C@H](O)[C@H]1O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)OAglycone:
COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O.FC(F)(F)CCSc1nc2c(c(NCC(F)(F)F)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 13 |
| MolWt: | 784.24 | Num_heavy_atoms: | 45 |
| TPSA: | 255.91 | 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 |
AD10083
Formula: C10H8N5F6S
Smiles:
FC(F)(F)CCSc1nc2c(c(NCC(F)(F)F)n1)N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 344.26 | Num_heavy_atoms: | 22 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
