Acolongifloriside K

3-[(1R,3S,5S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

CAS: 6251-64-5

Molecular Formula	`C29H44O12`
Molecular Weight	584.7 g/mol
LogP	-1.7
Topological Polar Surface Area	207.0 A2
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	12
Rotatable Bonds	4
Exact Mass	584.28326
Heavy Atoms	41
Complexity	1080.0

Chemical Identifiers

CAS Number	6251-64-5
SMILES	`CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O`
InChIKey	`LPMXVESGRSUGHW-BNSWSSRWSA-N`

📖 Product Overview

Acolongifloriside K (CAS: 6251-64-5) is a chemical compound with molecular formula C29H44O12 and molecular weight 584.7 g/mol. Its IUPAC systematic name is 3-[(1R,3S,5S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one. LogP -1.7 Topological Polar Surface Area 207.0 A2 Hydrogen Bond Donors 8 Hydrogen Bond Acceptors 12 Rotatable Bonds 4 Exact Mass 584.28326 Heavy Atoms 41 Complexity 1080.0 InChI Key: LPMXVESGRSUGHW-BNSWSSRWSA-N. SMILES: CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O.

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