Glycoside
GD105804
Name:
NoneFormula:
C12H25O15N3P3Smiles:
[NH3+]C/C=C/c1cn([C@H]2O[C@@H](CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O)[C@H](O)[C@@H]2O)c(=O)[nH]c1=OAglycone:
CO[PH](O)(O)O[PH](O)(O)OP(=O)(O)O.[NH3+]CC=Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.5 |
| AlogP: | -4.66 | Num_rotatable_bonds: | 10 |
| MolWt: | 544.26 | Num_heavy_atoms: | 33 |
| TPSA: | 298.33 | NumAromaticRings: | 1 |
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 |
AD44078
Formula: C7H10O2N3
Smiles:
[NH3+]CC=Cc1c[nH]c(=O)[nH]c1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.14 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.18 | Num_heavy_atoms: | 12 |
| TPSA: | 93.36 | NumAromaticRings: | 1 |
