Glycoside
GD039953
Name:
(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-(3-azanylpropyl)amino]methyl]oxolane-3,4-diolFormula:
C26H34O7N12Smiles:
NCCCN(CC#Cc1nc2c(N)ncnc2n1[C@H]1O[C@H](CO)[C@H](O)[C@@H]1O)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
CN(CC#CC1=Nc2c(N)ncnc2[N]1)CCCN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.54 |
| AlogP: | -3.94 | Num_rotatable_bonds: | 9 |
| MolWt: | 626.64 | Num_heavy_atoms: | 45 |
| TPSA: | 288.11 | 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 |
AD24606
Formula: C12H16N7
Smiles:
CN(CC#CC1=Nc2c(N)ncnc2[N]1)CCCN| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 258.31 | Num_heavy_atoms: | 19 |
| TPSA: | 107.52 | NumAromaticRings: | 1 |
