Glycoside
GD038044
Name:
[(2~{r},3~{s},4~{s})-5-[(4~{a}~{r})-7,8-dimethyl-2,4-bis(oxidanylidene)-4~{a},5-dihydropyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphateFormula:
C18H24O9N3PSmiles:
Cc1cc2c(cc1C)N(C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O)C1=NC(=O)NC(=O)[C@H]1C2Aglycone:
Cc1cc2c(cc1C)N(C)C1=NC(=O)NC(=O)C1C2Sugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 457.38 | Num_heavy_atoms: | 31 |
| TPSA: | 189.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD23840
Formula: C14H15O2N3
Smiles:
Cc1cc2c(cc1C)N(C)C1=NC(=O)NC(=O)C1C2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 0 |
| MolWt: | 257.29 | Num_heavy_atoms: | 19 |
| TPSA: | 61.77 | NumAromaticRings: | 1 |
