Glycoside
GD038211
Name:
~{n}-[(~{e})-3-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-[(4-methylphenyl)methyl]-2,3-bis(oxidanyl)benzamideFormula:
C27H28O6N6Smiles:
Cc1ccc(Cc2cc(O)c(O)c(C(=O)NCC=C[C@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2)cc1Aglycone:
C=CCNC(=O)c1cc(Cc2ccc(C)cc2)cc(O)c1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 532.56 | Num_heavy_atoms: | 39 |
| TPSA: | 188.87 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD23905
Formula: C18H19O3N
Smiles:
C=CCNC(=O)c1cc(Cc2ccc(C)cc2)cc(O)c1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 297.35 | Num_heavy_atoms: | 22 |
| TPSA: | 69.56 | NumAromaticRings: | 2 |
