Glycoside
GD039529
Name:
1-[4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidineFormula:
C18H32O3N10Smiles:
N=C(N)NCCCCN(CCCN)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CN(CCCN)CCCCNC(=N)N.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.67 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 11 |
| MolWt: | 436.52 | Num_heavy_atoms: | 31 |
| 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 |
AD24439
Formula: C9H23N5
Smiles:
CN(CCCN)CCCCNC(=N)N| HBA: | 5 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 201.32 | Num_heavy_atoms: | 14 |
| TPSA: | 91.16 | NumAromaticRings: | 0 |
