Glycoside
GD038252
Name:
(5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(6-phenylhexyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamideFormula:
C34H58O10N2Smiles:
CCCCCCCC(=O)NC(CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)[C@@H](O)[C@@H](O)CCCC(=O)NCCCCCCc1ccccc1Aglycone:
CCCCCCCC(=O)NC(CO)C(O)C(O)CCCC(=O)NCCCCCCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.76 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 24 |
| MolWt: | 654.84 | Num_heavy_atoms: | 46 |
| TPSA: | 198.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD23931
Formula: C28H48O5N2
Smiles:
CCCCCCCC(=O)NC(CO)C(O)C(O)CCCC(=O)NCCCCCCc1ccccc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | 3.64 | Num_rotatable_bonds: | 21 |
| MolWt: | 492.7 | Num_heavy_atoms: | 35 |
| TPSA: | 118.89 | NumAromaticRings: | 1 |
