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Acutissimin A

Structure via PubChem · Public domain (PubChem)

EntityQ4677960· pop 7· linked from 31 articles

Acutissimin A

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chemical compound

In the Vinony graph

Vinony's link graph records 31 inbound references to Acutissimin A, and connects out to cancer, digital object identifier and chemical formula.

It sits within the topics Antineoplastic drugs, Flavono-ellagitannins and Pyrogallols.

Vinony links it to 7 Wikipedia language editions.

Chemical data

Formula: C56H38O31
Molecular weight: 1206.9 g/mol
IUPAC name: (1R,2S,20R,42R,46R)-46-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
SMILES: C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@@H]4[C@@H]5[C@@H]6[C@@H](COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)OC(=O)C9=CC(=C(C(=C9C1=C(C(=C(C(=C1O)O)O)C1=C(C3=C(C(=C1O)O)O)C(=O)O4)C(=O)O5)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O
InChIKey: DRHVFLXLYQESEQ-YGJAGGILSA-N
XLogP: 3
Polar surface area: 545 Å²
H-bond donors: 20
H-bond acceptors: 31
Formal charge: 0

via PubChem

Wikidata facts

Mass: 1206.1397044359999

Show 3 more facts

chemical formula: C₅₆H₃₈O₃₁
canonical SMILES: C1C(C(OC2=C1C(=CC(=C2C3C4C5C6C(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)OC(=O)C9=CC(=C(C(=C9C1=C(C(=C(C(=C1O)O)O)C1=C(C3=C(C(=C1O)O)O)C(=O)O4)C(=O)O5)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O
isomeric SMILES: O=C1OC[C@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)O[C@H]([C@@H]3OC(=O)c5c-4c(O)c(O)c(O)c5[C@@H]3c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@@H](O)C4)[C@H]2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O

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Categories

Antineoplastic drugs Flavono-ellagitannins Pyrogallols