Glycoside
GD039048
Name:
(5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-[(1e)-4-phenylbutylidene]-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide (non-preferred name)Formula:
C32H52O10N2Smiles:
CCCCCCCC(=O)N[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)[C@@H](O)[C@@H](O)CCCC(=O)N=CCCCc1ccccc1Aglycone:
CCCCCCCC(=O)NC(CO)C(O)C(O)CCCC(=O)N=CCCCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.72 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 21 |
| MolWt: | 624.77 | Num_heavy_atoms: | 44 |
| TPSA: | 198.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD24254
Formula: C26H42O5N2
Smiles:
CCCCCCCC(=O)NC(CO)C(O)C(O)CCCC(=O)N=CCCCc1ccccc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 18 |
| MolWt: | 462.63 | Num_heavy_atoms: | 33 |
| TPSA: | 119.22 | NumAromaticRings: | 1 |
