Glycoside
GD105798
Name:
NoneFormula:
C18H37O14N7P3Smiles:
[NH3+]CCCCCCNC(=O)CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1OAglycone:
CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O.[NH3+]CCCCCCNC(=O)CNc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.67 |
| AlogP: | -3.29 | Num_rotatable_bonds: | 17 |
| MolWt: | 668.45 | Num_heavy_atoms: | 42 |
| TPSA: | 328.2 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD44077
Formula: C13H21ON7
Smiles:
[NH3+]CCCCCCNC(=O)CNc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 291.36 | Num_heavy_atoms: | 21 |
| TPSA: | 121.01 | NumAromaticRings: | 1 |
