Lucyoside K

Compound Structure:

Synonyms:

9-formyl-2,2,6a,6b,9,12a-hexamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; Lucyoside K; (3beta,4alpha)-3-(beta-D-Glucopyranosyloxy)-23-oxoolean-12-en-28-oic acid

Compound ID:

NMPC-1213

PubChem ID:

14020482

Molecular Formula:

C36H56O9

Canonical SMILES:

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C=O)OC6C(C(C(C(O6)CO)O)O)O)C)C)C2C1)C)C(=O)O)C

InChIKey:

CJJIRCAOHRWQEM-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	632.8 g/mol
XLogP3-AA	4.5
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	632.39243336 g/mol
Monoisotopic Mass	632.39243336 g/mol
Topological Polar Surface Area	154Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	1230
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	14
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Solid
Melting Point	230 - 232 °C

Source: PubChem

Source Species:

Luffa cylindrica

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