28-Glucosyloleanolic acid 3-[arabinosyl-(1->2)-6-methylglucuronide]

Base Information

• Chemical Name: 28-Glucosyloleanolic acid 3-[arabinosyl-(1->2)-6-methylglucuronide]
• CAS No.: 117804-22-5
• Molecular Formula: C₄₈H₇₆O₁₈
• Molecular Weight: 941.121
• DSSTox Substance ID: DTXSID101103610
• Wikidata: Q105278921

Synonyms:28-Glucosyloleanolic acid 3-[arabinosyl-(1->2)-6-methylglucuronide];CHEBI:173311;DTXSID101103610;117804-22-5;beta-D-Glucopyranosiduronic acid, (3beta)-28-(beta-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl 2-O-alpha-L-arabinopyranosyl-, methyl ester;methyl 6-[[4,4,6a,6b,11,11,14b-heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylate

Chemical Property of 28-Glucosyloleanolic acid 3-[arabinosyl-(1->2)-6-methylglucuronide]

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 10
• Exact Mass: 940.50316557
• Heavy Atom Count: 66
• Complexity: 1840

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• Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)OC)O)O)OC7C(C(C(CO7)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C

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