Glycoside
GD035257
Name:
NoneFormula:
C18H23O12N5F3P3Cl2SSmiles:
CCCSc1nc(NCC(F)(F)F)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCSc1nc2c(c(NCC(F)(F)F)n1)N=C[N]2.COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 13 |
| MolWt: | 730.27 | Num_heavy_atoms: | 42 |
| 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 |
AD22318
Formula: C10H11N5F3S
Smiles:
CCCSc1nc2c(c(NCC(F)(F)F)n1)N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 290.29 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
