[3,4,5-trihydroxy-6-[[2-[1-(6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl)ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-yl]methoxy]oxan-2-yl]methyl hexadecanoate
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![[3,4,5-trihydroxy-6-[[2-[1-(6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl)ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-yl]methoxy]oxan-2-yl]methyl hexadecanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/dacf78a5d5c94d23a094919a0a7d2b53.png "[3,4,5-trihydroxy-6-[[2-[1-(6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl)ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-yl]methoxy]oxan-2-yl]methyl hexadecanoate")
[3,4,5-trihydroxy-6-[[2-[1-(6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl)ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-yl]methoxy]oxan-2-yl]methyl hexadecanoate
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CAS No:
119812-43-0
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Formula:
C50H78O12
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Chemical Name:
[3,4,5-trihydroxy-6-[[2-[1-(6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl)ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-yl]methoxy]oxan-2-yl]methyl hexadecanoate
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Synonyms:
sitoindoside X;4-hydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-27-yl 6-o-hexadecanoylhexopyranoside;119812-43-0;Sitoindoside X;DTXSID40923123;Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,22-dihydroxy-1-oxo-27-((6-O-(1-oxohexadecyl)-beta-D-glucopyranosyl)oxy)-, delta-lactone, (4beta,5beta,6beta,22R)-
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CAS No:
[3,4,5-trihydroxy-6-[[2-[1-(6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl)ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-yl]methoxy]oxan-2-yl]methyl hexadecanoate Basic Attributes
871.1 g/mol
870.54932792 g/mol
Computed Properties
Molecular Weight:871.1
XLogP3:9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:22
Exact Mass:870.54932792
Monoisotopic Mass:870.54932792
Topological Polar Surface Area:182
Heavy Atom Count:62
Complexity:1640
Undefined Atom Stereocenter Count:16
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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