Glycoside
GD093428
Name:
NoneFormula:
C9H14O9N2PISmiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[PH](O)(O)O)[C@@H](O)[C@@H]2O)cc1IAglycone:
CO[PH](O)(O)O.O=c1[nH]cc(I)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -2.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 452.09 | Num_heavy_atoms: | 22 |
| TPSA: | 174.47 | NumAromaticRings: | 1 |
Unique Aglycone
AD00569
Formula: C4H3O2N2I
Smiles:
O=c1[nH]cc(I)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 237.98 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD01852
Formula: CH7O4P
Smiles:
CO[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.04 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
