Glycoside
GD105818
Name:
NoneFormula:
C9H18O15N2P3BrSmiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O)[C@@H](O)[C@@H]2O)cc1BrAglycone:
CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O.O=c1[nH]cc(Br)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.56 |
| AlogP: | -3.15 | Num_rotatable_bonds: | 8 |
| MolWt: | 567.07 | Num_heavy_atoms: | 30 |
| TPSA: | 270.69 | NumAromaticRings: | 1 |
Unique Aglycone
AD04715
Formula: C4H3O2N2Br
Smiles:
O=c1[nH]cc(Br)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 190.98 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD40402
Formula: CH11O10P3
Smiles:
CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 276.01 | Num_heavy_atoms: | 14 |
| TPSA: | 166.14 | NumAromaticRings: | 0 |
