Glycoside
GD040091
Name:
2-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-prop-2-enyl-1~{h}-purine-6,8-dioneFormula:
C13H17O6N5Smiles:
C=CCn1c(=O)n([C@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c2nc(N)[nH]c(=O)c21Aglycone:
C=CCn1c(=O)[nH]c2nc(N)[nH]c(=O)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -2.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 339.31 | Num_heavy_atoms: | 24 |
| TPSA: | 168.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD11951
Formula: C8H9O2N5
Smiles:
C=CCn1c(=O)[nH]c2nc(N)[nH]c(=O)c21| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 207.19 | Num_heavy_atoms: | 15 |
| TPSA: | 109.56 | NumAromaticRings: | 2 |
