Depressoside

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Basic information

CAS: 96935-16-9
Standard SMILES: C[C@@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)Oc3cccc(O)c3O)[C@H]2C[C@@H]1O[C@@H]1O[C@H](COC(=O)c2cccc(O)c2O)[C@@H](O)[C@H](O)[C@H]1O
InChIKey: FQFLPXQDVYDGMN-ZJZBFNCMSA-N
Molecular formula: C35H42O20
Average molar mass: 782.7 g/mol
Monoisotopic mass: 782.22694372

Overview

Depressoside has been reported in Gentiana depressa with data available.

Names & identifiers

Preferred name: Depressoside
IUPAC: (2,3-dihydroxyphenyl) (1S,4aS,6S,7R,7aS)-6-[(2R,3R,4S,5S,6R)-6-[(2,3-dihydroxybenzoyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

Names & synonyms

Depressoside96935-16-9(2,3-dihydroxyphenyl) (1S,4aS,6S,7R,7aS)-6-[(2R,3R,4S,5S,6R)-6-[(2,3-dihydroxybenzoyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate(2,3-dihydroxyphenyl) (1S,4aS,6S,7R,7aS)-6-((2R,3R,4S,5S,6R)-6-((2,3-dihydroxybenzoyl)oxymethyl)-3,4,5-trihydroxyoxan-2-yl)oxy-7-methyl-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1,4a,5,6,7,7a-hexahydrocyclopenta(c)pyran-4-carboxylateRefChem:132030DTXSID909142482,3-dihydroxyphenyl (1S,4aS,6S,7R,7aS)-6-{[6-O-(2,3-dihydroxybenzoyl)-beta-D-glucopyranosyl]oxy}-1-(beta-D-glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate2,3-Dihydroxyphenyl 6-{[6-O-(2,3-dihydroxybenzoyl)hexopyranosyl]oxy}-1-(hexopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

Database identifiers

CAS: 96935-16-9
PubChem CID: 180722
DTXSID: DTXSID90914248

Properties

Computed structural properties

XLogP: -0.6
Topological polar surface area: 321 Å²
Hydrogen bond donors: 11
Hydrogen bond acceptors: 20
Rotatable bonds: 12
Heavy atoms: 55
Formal charge: 0
Complexity: 1,350

Related reactions

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Compound notes

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