2-Amino-9-methyl-4,8-octadecadiene-1,3-diol; (2S,3R,4E,8E)-form, N-(2R-Hydroxyoctadecanoyl), 1-O-β-D-glucopyranoside
AlkaPlorer ID: AK286363
Synonym: Cerebroside D
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]octadecanamide
Structure
SMILES: CCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)/C=C/CC/C=C(\C)CCCCCCCCC
InChI: InChI=1S/C43H81NO9/c1-4-6-8-10-12-13-14-15-16-17-18-20-22-26-31-37(47)42(51)44-35(33-52-43-41(50)40(49)39(48)38(32-45)53-43)36(46)30-27-23-25-29-34(3)28-24-21-19-11-9-7-5-2/h27,29-30,35-41,43,45-50H,4-26,28,31-33H2,1-3H3,(H,44,51)/b30-27+,34-29+
InChIKey: RIZIAUKTHDLMQX-ZULUIHGNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cornucopiae | Poaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 756.1189999999995
TPSA？: 168.94
MolLogP？: 7.30430000000001
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|