Glycoside
GD105904
Name:
NoneFormula:
C9H20O15N2FP3Smiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[PH](O)(O)O[PH](O)(O)O[PH](O)(O)O)[C@@H](O)[C@H]2O)cc1FAglycone:
CO[PH](O)(O)O[PH](O)(O)O[PH](O)(O)O.O=c1[nH]cc(F)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | -4.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 508.18 | Num_heavy_atoms: | 30 |
| TPSA: | 273.85 | NumAromaticRings: | 1 |
Unique Aglycone
AD01634
Formula: C4H3O2N2F
Smiles:
O=c1[nH]cc(F)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 0 |
| MolWt: | 130.08 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD40420
Formula: CH13O10P3
Smiles:
CO[PH](O)(O)O[PH](O)(O)O[PH](O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 278.03 | Num_heavy_atoms: | 14 |
| TPSA: | 169.3 | NumAromaticRings: | 0 |
