2-Hydroxy-3-methyl-3-butenoic acid; (S)-form, Nitrile, O-[β-D-glucopyranosyl-(1→6)-β-D-glucopyranoside]
AlkaPlorer ID: AK301454
Synonym: Proacacipetalin 6'-glucoside, 6'-Glucosylproacacipetalin
IUPAC Name: 3-methyl-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybut-3-enenitrile
Structure
SMILES: C=C(C)C(C#N)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
InChI: InChI=1S/C17H27NO11/c1-6(2)7(3-18)27-17-15(25)13(23)11(21)9(29-17)5-26-16-14(24)12(22)10(20)8(4-19)28-16/h7-17,19-25H,1,4-5H2,2H3
InChIKey: ZOIJFXPQLWSWJR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Balanophora involucrata | Balanophora | Balanophoraceae | Santalales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 421.399
TPSA？: 202.32
MolLogP？: -3.904619999999998
Number of H-Donors: 7
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|