Glycoside
GD039390
Name:
(5r,6s,7s)-5,6-dihydroxy-n-nonyl-7-(octanoylamino)-8-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}octanamide (non-preferred name)Formula:
C31H60O10N2Smiles:
CCCCCCCCCNC(=O)CCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)NC(=O)CCCCCCCAglycone:
CCCCCCCCCNC(=O)CCCC(O)C(O)C(CO)NC(=O)CCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 25 |
| MolWt: | 620.82 | Num_heavy_atoms: | 43 |
| TPSA: | 198.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD24389
Formula: C25H50O5N2
Smiles:
CCCCCCCCCNC(=O)CCCC(O)C(O)C(CO)NC(=O)CCCCCCC| HBA: | 7 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 22 |
| MolWt: | 458.68 | Num_heavy_atoms: | 32 |
| TPSA: | 118.89 | NumAromaticRings: | 0 |
