Glycoside
GD037657
Name:
(2s,5s)-2-amino-6-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acidFormula:
C18H29O5N7Smiles:
CCCN[C@H](CC[C@@H](N)C(=O)O)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCCNC(C)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 10 |
| MolWt: | 423.47 | Num_heavy_atoms: | 30 |
| TPSA: | 194.66 | 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 |
AD15821
Formula: C9H20O2N2
Smiles:
CCCNC(C)CCC(N)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 188.27 | Num_heavy_atoms: | 13 |
| TPSA: | 75.35 | NumAromaticRings: | 0 |
