 Home > Encyclopedia > 3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde structure

CAS No:
122051-33-6
Formula:
C31H44O10
Chemical Name:
3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Synonyms:
physodine A;Physodine A;122051-33-6;DTXSID90924064;Bufa-20,22-dienolide, 3-((6-deoxy-3-O-methyl-alpha-D-galactopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3beta,5beta)-;3-[(6-Deoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolido

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3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde Basic Attributes

Molecular Weight：

576.7 g/mol

Exact Mass：

576.29344760 g/mol

Characteristics

PSA：

152 Å²

Drug Information

MeSH Entry Terms：

physodine A

Computed Properties

Molecular Weight:576.7
XLogP3:0.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:576.29344760
Monoisotopic Mass:576.29344760
Topological Polar Surface Area:152
Heavy Atom Count:41
Complexity:1120
Undefined Atom Stereocenter Count:13
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

Basic Attributes
Characteristics
Drug Information
Computed Properties

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