Glycoside
GD038212
Name:
~{n}-[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-ethylpurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-bis(oxidanyl)benzamideFormula:
C27H26O6N5FSmiles:
CCc1ncnc2c1ncn2[C@H]1O[C@H](C=CCNC(=O)c2cc(-c3ccc(F)cc3)cc(O)c2O)[C@H](O)[C@@H]1OAglycone:
C=CCNC(=O)c1cc(-c2ccc(F)cc2)cc(O)c1O.CCc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 535.53 | Num_heavy_atoms: | 39 |
| TPSA: | 162.85 | NumAromaticRings: | 4 |
Unique Aglycone
AD10853
Formula: C7H7N4
Smiles:
CCc1ncnc2c1N=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 147.16 | Num_heavy_atoms: | 11 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
AD23826
Formula: C16H14O3NF
Smiles:
C=CCNC(=O)c1cc(-c2ccc(F)cc2)cc(O)c1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 287.29 | Num_heavy_atoms: | 21 |
| TPSA: | 69.56 | NumAromaticRings: | 2 |
