18beta-Olean-12-ene-3beta,11xi,30-triol-3-O-beta-D-glucopyranosyl(1-2)beta-D-glucopyranoside
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18beta-Olean-12-ene-3beta,11xi,30-triol-3-O-beta-D-glucopyranosyl(1-2)beta-D-glucopyranoside
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CAS No:
134250-16-1
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Formula:
C42H70O13
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Chemical Name:
18beta-Olean-12-ene-3beta,11xi,30-triol-3-O-beta-D-glucopyranosyl(1-2)beta-D-glucopyranoside
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Synonyms:
134250-16-1;DTXSID70928540;beta-D-Glucopyranoside, (3b,20b)-11,29-dihydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-;18beta-Olean-12-ene-3beta,11xi,30-triol-3-O-beta-D-glucopyranosyl(1-2)beta-D-glucopyranoside;11,29-Dihydroxyolean-12-en-3-yl 2-O-hexopyranosylhexopyranoside;(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-14-hydroxy-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol;.beta.-D-Glucopyranoside, (3b,20b)-11,29-dihydroxyolean-12-en-3-yl 2-O-.beta.-D-glucopyranosyl-;18.beta.-Olean-12-ene-3.beta.,11.xi.,30-triol-3-O-.beta.-D-glucopyranosyl(1->2).beta.-D-glucopyranoside
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CAS No:
18beta-Olean-12-ene-3beta,11xi,30-triol-3-O-beta-D-glucopyranosyl(1-2)beta-D-glucopyranoside Basic Attributes
783.0 g/mol
782.48164228 g/mol
Computed Properties
Molecular Weight:783.0
XLogP3:3.3
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:7
Exact Mass:782.48164228
Monoisotopic Mass:782.48164228
Topological Polar Surface Area:219
Heavy Atom Count:55
Complexity:1440
Defined Atom Stereocenter Count:19
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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