Wedeloside; 4'-O-Sulfate
AlkaPlorer ID: AK317878
Synonym: 4'-Sulfowedeloside
IUPAC Name: 13,15-dihydroxy-7-[6-(hydroxymethyl)-3-(3-methylbutanoylamino)-4-(3-phenylpropanoyloxy)-5-sulfooxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid
Structure
SMILES: C=C1C(O)C23CCC4C(C(=O)O)(C(=O)O)CC(OC5OC(CO)C(OS(=O)(=O)O)C(OC(=O)CCC6=CC=CC=C6)C5NC(=O)CC(C)C)CC4(C)C2CCC1(O)C3
InChI: InChI=1S/C40H55NO16S/c1-21(2)16-28(43)41-30-32(56-29(44)11-10-23-8-6-5-7-9-23)31(57-58(51,52)53)25(19-42)55-34(30)54-24-17-37(4)26-13-15-39(50)20-38(26,33(45)22(39)3)14-12-27(37)40(18-24,35(46)47)36(48)49/h5-9,21,24-27,30-34,42,45,50H,3,10-20H2,1-2,4H3,(H,41,43)(H,46,47)(H,48,49)(H,51,52,53)
InChIKey: KYASWIDHXVKTDA-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Wedelia asperrima | Wedelia | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 837.9379999999998
TPSA？: 272.74999999999994
MolLogP？: 2.166300000000005
Number of H-Donors: 7
Number of H-Acceptors: 13
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|