Glycoside
GD038225
Name:
(2~{r})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]amino]-2-azanyl-butanoic acidFormula:
C21H30O7N10Smiles:
COCn1cc(CN(CC[C@@H](N)C(=O)O)C[C@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c(N)nc1=OAglycone:
COCn1cc(CN(C)CCC(N)C(=O)O)c(N)nc1=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | -2.93 | Num_rotatable_bonds: | 11 |
| MolWt: | 534.53 | Num_heavy_atoms: | 38 |
| TPSA: | 256.01 | 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 |
AD23917
Formula: C12H21O4N5
Smiles:
COCn1cc(CN(C)CCC(N)C(=O)O)c(N)nc1=O| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 299.33 | Num_heavy_atoms: | 21 |
| TPSA: | 136.7 | NumAromaticRings: | 1 |
