Lucyoside N

Compound Structure:

Synonyms:

3-hydroxy-9-(hydroxymethyl)-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 N

Compound ID:

NMPC-1214

PubChem ID:

78407206

Molecular Formula:

C36H58O10

Canonical SMILES:

CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1O)C(=O)O)C)C)(C)CO)OC6C(C(C(C(O6)CO)O)O)O)C)C

InChIKey:

JAJHTUPNVRLALX-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	650.8 g/mol
XLogP3-AA	3.3
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	650.40299804 g/mol
Monoisotopic Mass	650.40299804 g/mol
Topological Polar Surface Area	177Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	1240
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	15
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Solid
Melting Point	221 - 223 °C

Source: PubChem

Source Species:

Luffa cylindrica

Download SDF