2-Amino-9-methyl-4,8-octadecadiene-1,3-diol; (2S,3R,4E,8E)-form, N-(2R-Hydroxyhexadecanoyl), 1-O-β-D-glucopyranoside
AlkaPlorer ID: AK286359
Synonym: Cerebroside B, Glucocerebroside
IUPAC Name: 2-hydroxy-N-[(4E,8E)-3-hydroxy-9-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide
Structure
SMILES: CCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)/C=C/CC/C=C(\C)CCCCCCCCC
InChI: InChI=1S/C41H77NO9/c1-4-6-8-10-12-13-14-15-16-18-20-24-29-35(45)40(49)42-33(31-50-41-39(48)38(47)37(46)36(30-43)51-41)34(44)28-25-21-23-27-32(3)26-22-19-17-11-9-7-5-2/h25,27-28,33-39,41,43-48H,4-24,26,29-31H2,1-3H3,(H,42,49)/b28-25+,32-27+
InChIKey: YBSQGNFRWZKFMJ-BOLNYJQLSA-N
Source
Properties Information
Molecule Weight: 728.0649999999994
TPSA？: 168.94
MolLogP？: 6.524100000000006
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 1
Activities Information
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