Glycoside
GD093487
Name:
NoneFormula:
C9H27O14N3P3Smiles:
[NH3+][C@@H]1CCN([C@H]2O[C@@H](CO[PH](O)(O)O[PH](O)(O)O[PH](O)(O)O)[C@H](O)[C@@H]2O)C(=O)N1Aglycone:
CO[PH](O)(O)O[PH](O)(O)O[PH](O)(O)O.[NH3+]C1CCNC(=O)N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 0.89 |
| AlogP: | -5.36 | Num_rotatable_bonds: | 8 |
| MolWt: | 494.24 | Num_heavy_atoms: | 29 |
| TPSA: | 278.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD40420
Formula: CH13O10P3
Smiles:
CO[PH](O)(O)O[PH](O)(O)O[PH](O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 278.03 | Num_heavy_atoms: | 14 |
| TPSA: | 169.3 | NumAromaticRings: | 0 |
AD40421
Formula: C4H10ON3
Smiles:
[NH3+]C1CCNC(=O)N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 116.14 | Num_heavy_atoms: | 8 |
| TPSA: | 68.77 | NumAromaticRings: | 0 |
