Glycoside
GD039816
Name:
(2~{s},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{n}-piperidin-4-yl-oxolane-2-carboxamideFormula:
C15H21O4N7Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](C(=O)NC2CCNCC2)[C@H](O)[C@@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNC1CCNCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 363.38 | Num_heavy_atoms: | 26 |
| TPSA: | 160.44 | NumAromaticRings: | 2 |
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 |
AD24545
Formula: C6H12ON2
Smiles:
O=CNC1CCNCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 128.18 | Num_heavy_atoms: | 9 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
