Glycoside
GD038224
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]-[(3~{s})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]azaniumFormula:
C22H33O7N10Smiles:
COCn1cc(C[NH+](CC[C@@H](N)C(=O)O)CC[C@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c(N)nc1=OAglycone:
CC[NH+](CCC(N)C(=O)O)Cc1cn(COC)c(=O)nc1N.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.55 |
| AlogP: | -3.95 | Num_rotatable_bonds: | 12 |
| MolWt: | 549.57 | Num_heavy_atoms: | 39 |
| TPSA: | 257.21 | 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 |
AD23916
Formula: C13H24O4N5
Smiles:
CC[NH+](CCC(N)C(=O)O)Cc1cn(COC)c(=O)nc1N| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 314.37 | Num_heavy_atoms: | 22 |
| TPSA: | 137.9 | NumAromaticRings: | 1 |
