rel-(2R,2′S,3S,3′R,4S)-2′-(3,4-Dihydroxyphenyl)-3,3′,4,4′-tetrahydro-2-(4-hydroxyphenyl)[4,6′-bi-2H-1-benzopyran]-3,3′,5′,7,7′-pentol
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![rel-(2R,2′S,3S,3′R,4S)-2′-(3,4-Dihydroxyphenyl)-3,3′,4,4′-tetrahydro-2-(4-hydroxyphenyl)[4,6′-bi-2H-1-benzopyran]-3,3′,5′,7,7′-pentol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ff1fe658f94b4dfba7fac9f6a8969969.png "rel-(2R,2′S,3S,3′R,4S)-2′-(3,4-Dihydroxyphenyl)-3,3′,4,4′-tetrahydro-2-(4-hydroxyphenyl)[4,6′-bi-2H-1-benzopyran]-3,3′,5′,7,7′-pentol")
rel-(2R,2′S,3S,3′R,4S)-2′-(3,4-Dihydroxyphenyl)-3,3′,4,4′-tetrahydro-2-(4-hydroxyphenyl)[4,6′-bi-2H-1-benzopyran]-3,3′,5′,7,7′-pentol
structure -
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CAS No:
26277-74-7
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Formula:
C30H26O10
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Chemical Name:
rel-(2R,2′S,3S,3′R,4S)-2′-(3,4-Dihydroxyphenyl)-3,3′,4,4′-tetrahydro-2-(4-hydroxyphenyl)[4,6′-bi-2H-1-benzopyran]-3,3′,5′,7,7′-pentol
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Synonyms:
[4,6′-Bi-2H-1-benzopyran]-3,3′,5′,7,7′-pentol,2′-(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-2-(4-hydroxyphenyl)-,(2R,2′S,3S,3′R,4S)-rel-;[4,6′′-Biflavan]-3,3′′,3′′′,4′,4′′′,5′′,7,7′′-octol,stereoisomer;[4,6′-Bi-2H-1-benzopyran]-3,3′,5′,7,7′-pentol,2′-(3,4-dihydroxyphenyl)-3,3′,4,4′-tetrahydro-2-(4-hydroxyphenyl)-,[2α,3β,4α(2′S*,3′R*)]-;rel-(2R,2′S,3S,3′R,4S)-2′-(3,4-Dihydroxyphenyl)-3,3′,4,4′-tetrahydro-2-(4-hydroxyphenyl)[4,6′-bi-2H-1-benzopyran]-3,3′,5′,7,7′-pentol;Globiflorin 3B2
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CAS No:
rel-(2R,2′S,3S,3′R,4S)-2′-(3,4-Dihydroxyphenyl)-3,3′,4,4′-tetrahydro-2-(4-hydroxyphenyl)[4,6′-bi-2H-1-benzopyran]-3,3′,5′,7,7′-pentol Basic Attributes
546.5 g/mol
546.52
DTXSID40331906
Computed Properties
Molecular Weight:546.5
XLogP3:3.1
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:3
Exact Mass:546.15259702
Monoisotopic Mass:546.15259702
Topological Polar Surface Area:180
Heavy Atom Count:40
Complexity:852
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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