Glycoside
GD037956
Name:
(2s,5s)-2,6-diamino-5-{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acidFormula:
C16H25O5N7Smiles:
NC[C@@H](CC[C@@H](N)C(=O)O)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
CC(CN)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 395.42 | Num_heavy_atoms: | 28 |
| TPSA: | 208.65 | 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 |
AD23795
Formula: C7H16O2N2
Smiles:
CC(CN)CCC(N)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 160.22 | Num_heavy_atoms: | 11 |
| TPSA: | 89.34 | NumAromaticRings: | 0 |
