Basic information
- CAS
73545-87-6- Standard SMILES
O=C(O)CC(=O)OCC1OC(Oc2cc(O)cc3[o+]c(-c4ccc(O)cc4)c(OC4OC(COC(=O)C=Cc5ccc(O)cc5)C(O)C(O)C4O)cc23)C(O)C(O)C1OC(=O)CC(=O)O- InChIKey
HOQNHEQPPFYHLF-UHFFFAOYSA-O- Molecular formula
- C42H41O23+
- Average molar mass
- 913.8 g/mol
- Monoisotopic mass
- 913.20386255
Overview
HOQNHEQPPFYHLF-UHFFFAOYSA-O has been reported in Salvia splendens with data available.
Names & identifiers
- Preferred name
- 3-[[3-(2-Carboxyacetyl)oxy-4,5-dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxychromenylium-5-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid
- IUPAC
- 3-[[3-(2-carboxyacetyl)oxy-4,5-dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxychromenylium-5-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid
Database identifiers
- CAS
73545-87-6- PubChem CID
- 4482008
Properties
Computed structural properties
- Topological polar surface area
- 353 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 19
- Heavy atoms
- 65
- Formal charge
- 1
- Complexity
- 1,650
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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