Glycoside
GD106260
Name:
NoneFormula:
C15H32O12N3P2Smiles:
[NH3+]CCCCCCO[PH](O)(O)O[PH](O)(O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CO[PH](O)(O)O[PH](O)(O)OCCCCCC[NH3+].O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.73 |
| AlogP: | -3.2 | Num_rotatable_bonds: | 13 |
| MolWt: | 508.38 | Num_heavy_atoms: | 32 |
| TPSA: | 240.8 | 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 |
AD44066
Formula: C7H24O7NP2
Smiles:
CO[PH](O)(O)O[PH](O)(O)OCCCCCC[NH3+]| HBA: | 8 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 10 |
| MolWt: | 296.22 | Num_heavy_atoms: | 17 |
| TPSA: | 136.25 | NumAromaticRings: | 0 |
