Glycoside
GD105814
Name:
NoneFormula:
C9H19O14N3P3BrSmiles:
Nc1nc(=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.Nc1nc(=O)[nH]cc1BrSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | -2.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 566.08 | Num_heavy_atoms: | 30 |
| TPSA: | 276.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD11954
Formula: C4H4ON3Br
Smiles:
Nc1nc(=O)[nH]cc1Br| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 0 |
| MolWt: | 190.0 | Num_heavy_atoms: | 9 |
| TPSA: | 71.77 | 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 |
