(2R)-N-[(2S,3S,4R,10E)-3,4-dihydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-10-en-2-yl]-2-hydroxytricosanamide
AlkaPlorer ID: AK267464
Synonym: None
IUPAC Name: (2R)-N-[(E,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-10-en-2-yl]-2-hydroxytricosanamide
Structure
SMILES: CCCCCCC/C=C/CCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N=C(O)[C@H](O)CCCCCCCCCCCCCCCCCCCCC
InChI: InChI=1S/C47H91NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(51)46(56)48-38(37-57-47-45(55)44(54)43(53)41(36-49)58-47)42(52)39(50)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h16,24,38-45,47,49-55H,3-15,17-23,25-37H2,1-2H3,(H,48,56)/b24-16+/t38-,39+,40+,41+,42-,43+,44-,45+,47+/m0/s1
InChIKey: AVYAQWMFKDUTIG-PIBRYAMRSA-N
Reference
A new cerebroside from Gynura divaricata
PubChem CID: 163005028
LOTUS: LTS0120181
SuperNatural Ⅲ: SN0016841-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gynura divaricata | Gynura | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 830.2419999999988
TPSA？: 192.66
MolLogP？: 8.899800000000003
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|