Glycoside
GD039527
Name:
1-[5-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidineFormula:
C19H34O3N10Smiles:
N=C(N)NCCCCCN(CCCN)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CN(CCCN)CCCCCNC(=N)N.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.68 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 12 |
| MolWt: | 450.55 | Num_heavy_atoms: | 32 |
| TPSA: | 210.47 | 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 |
AD24438
Formula: C10H25N5
Smiles:
CN(CCCN)CCCCCNC(=N)N| HBA: | 5 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 9 |
| MolWt: | 215.34 | Num_heavy_atoms: | 15 |
| TPSA: | 91.16 | NumAromaticRings: | 0 |
