Glycoside
GD039050
Name:
(5r,6s,7s)-5,6-dihydroxy-7-(octanoylamino)-n-(8-phenyloctyl)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide (non-preferred name)Formula:
C36H62O10N2Smiles:
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)NCCCCCCCCc1ccccc1Aglycone:
CCCCCCCC(=O)NC(CO)C(O)C(O)CCCC(=O)NCCCCCCCCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.78 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 26 |
| MolWt: | 682.9 | Num_heavy_atoms: | 48 |
| TPSA: | 198.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD24255
Formula: C30H52O5N2
Smiles:
CCCCCCCC(=O)NC(CO)C(O)C(O)CCCC(=O)NCCCCCCCCc1ccccc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | 4.42 | Num_rotatable_bonds: | 23 |
| MolWt: | 520.76 | Num_heavy_atoms: | 37 |
| TPSA: | 118.89 | NumAromaticRings: | 1 |
