5-[(7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
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5-[(7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
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CAS No:
35317-31-8
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Formula:
C33H34O13S
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Chemical Name:
5-[(7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
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Synonyms:
NSC 363607;Podophyllotoxin-thenyliden-glucosid [German];Podophyllotoxin-thenyliden-glucosid;35317-31-8;Podophyllotoxin O-thenylidene-beta-D-glucopyranoside;4,6-O-Thenylidene-beta-D-glucopyranoside podophillotoxin;Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-9-((4,6-O-(thenylidene)-beta-D-glucopyranosyl)oxy)-5-(3,4,5-trimethoxyphenyl)-, (5R-(5-alpha,5a-beta,8a-alpha,9-alpha))-
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CAS No:
5-[(7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one Basic Attributes
670.7 g/mol
670.17201231 g/mol
Computed Properties
Molecular Weight:670.7
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:7
Exact Mass:670.17201231
Monoisotopic Mass:670.17201231
Topological Polar Surface Area:178
Heavy Atom Count:47
Complexity:1100
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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