Glycoside
GD039588
Name:
methyl 6-[5-[[~{n}-[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]pentylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylateFormula:
C29H36O7N10Smiles:
COC(=O)c1cc(O)c2cc(NC(=O)NCCCCCNC(=N)NC[C@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2c1Aglycone:
CNC(=N)NCCCCCNC(=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: | 0.38 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 11 |
| MolWt: | 636.67 | Num_heavy_atoms: | 46 |
| 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 |
AD24465
Formula: C20H27O4N5
Smiles:
CNC(=N)NCCCCCNC(=O)Nc1ccc2cc(C(=O)OC)cc(O)c2c1| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 401.47 | Num_heavy_atoms: | 29 |
| TPSA: | 135.57 | NumAromaticRings: | 2 |
