2-Amino-17-methyl-1,3,4-nonadecanetriol; (2S,3S,4R,17ξ)-form, N-(2R-Hydroxydocosanoyl), 1-O-β-D-glucopyranoside
AlkaPlorer ID: AK286344
Synonym: None
IUPAC Name: N-[3,4-dihydroxy-17-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonadecan-2-yl]-2-hydroxydocosanamide
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCC(C)CC
InChI: InChI=1S/C48H95NO10/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-35-41(52)47(57)49-39(37-58-48-46(56)45(55)44(54)42(36-50)59-48)43(53)40(51)34-31-28-25-22-20-19-21-24-27-30-33-38(3)5-2/h38-46,48,50-56H,4-37H2,1-3H3,(H,49,57)
InChIKey: DTWYNALEHGQPBX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Pentacta | Cucumariidae | Dendrochirotida | Holothuroidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 846.2849999999995
TPSA？: 192.66
MolLogP？: 9.369800000000009
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|