Glycoside
GD095590
Name:
NoneFormula:
C14H29O11N4P2Smiles:
C[N+](C)(C)CCO[P@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O)O[PH](O)(O)OAglycone:
COP(=O)(OCC[N+](C)(C)C)O[PH](O)(O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 10 |
| MolWt: | 491.35 | Num_heavy_atoms: | 31 |
| TPSA: | 216.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD40782
Formula: C6H20O7NP2
Smiles:
COP(=O)(OCC[N+](C)(C)C)O[PH](O)(O)O| HBA: | 8 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 280.17 | Num_heavy_atoms: | 16 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
