Glycoside
GD038196
Name:
(2~{s})-4-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-carbamimidamidoethyl)amino]-2-azanyl-butanoic acidFormula:
C17H28O5N10Smiles:
N=C(N)NCCN(CC[C@@H](N)C(=O)O)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CN(CCNC(=N)N)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.59 |
| AlogP: | -3.39 | Num_rotatable_bonds: | 10 |
| MolWt: | 452.48 | Num_heavy_atoms: | 32 |
| TPSA: | 247.77 | 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 |
AD23897
Formula: C8H19O2N5
Smiles:
CN(CCNC(=N)N)CCC(N)C(=O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.75 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 217.27 | Num_heavy_atoms: | 15 |
| TPSA: | 128.46 | NumAromaticRings: | 0 |
