Glycoside
GD038253
Name:
2-[[1-[(2~{r},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-10~{h}-acridin-9-oneFormula:
C23H22O7N4Smiles:
O=c1c2ccccc2[nH]c2ccc(Nc3ccn([C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)c(=O)n3)cc12Aglycone:
O=c1nc(Nc2ccc3[nH]c4ccccc4c(=O)c3c2)cc[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.26 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 466.45 | Num_heavy_atoms: | 34 |
| TPSA: | 169.93 | NumAromaticRings: | 4 |
Unique Aglycone
AD23932
Formula: C17H12O2N4
Smiles:
O=c1nc(Nc2ccc3[nH]c4ccccc4c(=O)c3c2)cc[nH]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 304.31 | Num_heavy_atoms: | 23 |
| TPSA: | 90.64 | NumAromaticRings: | 4 |
