 Home > Encyclopedia > 8-[3-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one

8-[3-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one

8-[3-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one structure

CAS No:
134018-84-1
Formula:
C27H38O15
Chemical Name:
8-[3-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one
Synonyms:
5,7-dimethoxy-8-(2'-hydroxy-3'-methyl-3'-O-beta-D-apiofuranosyl(1-6)-beta-D-glucopyranosylbutyl)coumarin;rubricauloside;Rubricauloside;134018-84-1;DTXSID00928391;5,7-Dimethoxy-8-(2'-hydroxy-3'-methyl-3'-O-beta-D-apiofuranosyl(1-6)-beta-D-glucopyranosylbutyl)coumarin;8-[3-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one;4-(5,7-Dimethoxy-2-oxo-2H-1-benzopyran-8-yl)-3-hydroxy-2-methylbutan-2-yl 6-O-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]hexopyranoside

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8-[3-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one Basic Attributes

Molecular Weight：

602.6 g/mol

Exact Mass：

602.22107050 g/mol

Characteristics

PSA：

223 Å²

Drug Information

MeSH Entry Terms：

5,7-dimethoxy-8-(2'-hydroxy-3'-methyl-3'-O-beta-D-apiofuranosyl(1-6)-beta-D-glucopyranosylbutyl)coumarin

Computed Properties

Molecular Weight:602.6
XLogP3:-1.9
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:11
Exact Mass:602.22107050
Monoisotopic Mass:602.22107050
Topological Polar Surface Area:223
Heavy Atom Count:42
Complexity:947
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-[3-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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