Glycoside
GD039559
Name:
2-[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]azaniumFormula:
C18H26O5N9Smiles:
COCn1cc(C[NH2+]CC[C@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c(N)nc1=OAglycone:
CC[NH2+]Cc1cn(COC)c(=O)nc1N.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -3.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 448.46 | Num_heavy_atoms: | 32 |
| TPSA: | 206.06 | 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 |
AD24452
Formula: C9H17O2N4
Smiles:
CC[NH2+]Cc1cn(COC)c(=O)nc1N| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 213.26 | Num_heavy_atoms: | 15 |
| TPSA: | 86.75 | NumAromaticRings: | 1 |
