 Home > Encyclopedia > 9-(1,3-benzodioxol-5-yl)-4-[(2S,3R,4S,5R)-4,5-dimethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one

9-(1,3-benzodioxol-5-yl)-4-[(2S,3R,4S,5R)-4,5-dimethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one

9-(1,3-benzodioxol-5-yl)-4-[(2S,3R,4S,5R)-4,5-dimethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one structure

CAS No:
86402-39-3
Formula:
C34H38O16
Chemical Name:
9-(1,3-benzodioxol-5-yl)-4-[(2S,3R,4S,5R)-4,5-dimethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one
Synonyms:
Cleistanthoside A;86402-39-3;CHEMBL3298958;DTXSID90235526;Naphtho(2,3-c)furan-1(3H)-one, 9-(1,3-benzodioxol-5-yl)-4-((2-O-beta-D-glucopyranosyl-3,4-di-O-methyl-beta-D-xylopyranosyl)oxy)-6,7-dimethoxy-;Diphyllin O-(2-O-beta-D-glucopyranosyl-3,4-di-O-methyl-beta-D-xylopyranoside)

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9-(1,3-benzodioxol-5-yl)-4-[(2S,3R,4S,5R)-4,5-dimethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one Basic Attributes

Molecular Weight：

702.7 g/mol

Exact Mass：

702.21598512 g/mol

DSSTox ID：

DTXSID90235526

Characteristics

PSA：

200 Å²

Computed Properties

Molecular Weight:702.7
XLogP3:1.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:10
Exact Mass:702.21598512
Monoisotopic Mass:702.21598512
Topological Polar Surface Area:200
Heavy Atom Count:50
Complexity:1150
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: ethanolamine; hexanoate; acetonide; echemi; ethylhexyl methoxycinnamate; pbso4

Guide of 9-(1,3-benzodioxol-5-yl)-4-[(2S,3R,4S,5R)-4,5-dimethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one

Basic Attributes
Characteristics
Computed Properties

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