Glycoside
GD039525
Name:
(2~{r},3~{r},4~{s},5~{r})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diolFormula:
C21H31O3N9Smiles:
NCCCN(CCCNc1ccccn1)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CN(CCCN)CCCNc1ccccn1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 11 |
| MolWt: | 457.54 | Num_heavy_atoms: | 33 |
| TPSA: | 173.49 | NumAromaticRings: | 3 |
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 |
AD24436
Formula: C12H22N4
Smiles:
CN(CCCN)CCCNc1ccccn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 222.34 | Num_heavy_atoms: | 16 |
| TPSA: | 54.18 | NumAromaticRings: | 1 |
