Name: Gingerglycolipid A
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HIT ID:HIT103903043
Cas No:145937-22-0
Common Name:Gingerglycolipid A
IUPAC:(2S)-2-hydroxy-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
IUPAC:(2S)-2-hydroxy-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
InChIKey:MPSGDHOYFIUPSO-MDAKJLGTSA-N

Molecular Formula:C33H56O14
Molecular Weight:676.797
Hydrogen Bond Donor (HBD):8
Hydrogen Bond Acceptor (HBA):13
LogP:1.344
SMILES:CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
SMILES:CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

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