Glycoside
GD032140
Name:
NoneFormula:
C15H20O15N2F4P2Smiles:
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]3O[C@H]([C@H](O)CO)C(F)(F)C3(F)F)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)OC1OC(C(O)CO)C(F)(F)C1(F)F.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 10 |
| MolWt: | 606.26 | Num_heavy_atoms: | 38 |
| TPSA: | 256.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD20636
Formula: C7H12O10F4P2
Smiles:
COP(=O)(O)OP(=O)(O)OC1OC(C(O)CO)C(F)(F)C1(F)F| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 394.1 | Num_heavy_atoms: | 23 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
