Neodiosmin

Compound Structure:

Synonyms:

7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one is a chemical compound also known as Neointermedeol or 7-Epi-paradisiol.

Compound ID:

NMPC-1297

PubChem ID:

69964214

Molecular Formula:

C28H32O15

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O

InChIKey:

VCCNKWWXYVWTLT-CYZBKYQRSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	608.5 g/mol
XLogP3-AA	-0.3
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	7
Exact Mass	608.17412031 g/mol
Monoisotopic Mass	608.17412031 g/mol
Topological Polar Surface Area	234Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	995
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Luffa cylindrica

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