Glycoside
GD106003
Name:
NoneFormula:
C15H28O16N3P2Smiles:
CO[P@](=O)(O[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)O[PH](O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1[NH3+]Aglycone:
COP(=O)(O)O[PH](O)(O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1O.[NH3+]C1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.73 |
| AlogP: | -5.64 | Num_rotatable_bonds: | 9 |
| MolWt: | 568.34 | Num_heavy_atoms: | 36 |
| TPSA: | 296.56 | 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 |
AD44098
Formula: CH8O7P2
Smiles:
COP(=O)(O)O[PH](O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.02 | Num_heavy_atoms: | 10 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
