Glycoside
GD038276
Name:
methyl 6-[4-[[~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylateFormula:
C28H34O7N10Smiles:
COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NC[C@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2c1Aglycone:
CNC(=N)NCCCCNC(=O)Nc1ccc2cc(C(=O)OC)cc(O)c2c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.36 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 10 |
| MolWt: | 622.64 | Num_heavy_atoms: | 45 |
| TPSA: | 254.88 | NumAromaticRings: | 4 |
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 |
AD23942
Formula: C19H25O4N5
Smiles:
CNC(=N)NCCCCNC(=O)Nc1ccc2cc(C(=O)OC)cc(O)c2c1| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 7 |
| MolWt: | 387.44 | Num_heavy_atoms: | 28 |
| TPSA: | 135.57 | NumAromaticRings: | 2 |
