Glycoside
GD039524
Name:
1-[3-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidineFormula:
C17H30O3N10Smiles:
N=C(N)NCCCN(CCCN)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CN(CCCN)CCCNC(=N)N.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.65 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 10 |
| MolWt: | 422.49 | Num_heavy_atoms: | 30 |
| 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 |
AD24435
Formula: C8H21N5
Smiles:
CN(CCCN)CCCNC(=N)N| HBA: | 5 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 187.29 | Num_heavy_atoms: | 13 |
| TPSA: | 91.16 | NumAromaticRings: | 0 |
