Glycerol 1,2-dialkanoates; Glycerol 1,2-dioctadecanoate, 3-O-(6-Amino-6-deoxy-α-D-glucopyranoside) 

AlkaPlorer ID: AK299506

Synonym: Avrainvilloside

IUPAC Name: [3-[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-octadecanoyloxypropyl] octadecanoate

Structure

SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CN)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCC

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InChI: InChI=1S/C45H87NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,42-45,49-51H,3-37,46H2,1-2H3

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InChIKey: KJILUUUMZVFMFK-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 786.188999999999

TPSA: 157.76999999999998

MolLogP: 9.7473

Number of H-Donors: 4

Number of H-Acceptors: 10

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information