Fusicoccin C
[(2S)-2-[(1E,3R,4S,8R,9R,10R,11S,14S)-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(2-methylbut-3-en-2-yloxymethyl)oxan-2-yl]oxy-6-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]propyl] acetate
Molecular Identity
Fusicoccin C
[(2S)-2-[(1E,3R,4S,8R,9R,10R,11S,14S)-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(2-methylbut-3-en-2-yloxymethyl)oxan-2-yl]oxy-6-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]propyl] acetate
PubChem CID: 101306709
2D Structure
Properties
C34H54O11
Molecular Formula
638.80
Molecular Weight
g/mol
638.3666
Exact Mass
Da
0.4
XLogP
Drug-like (Lipinski: < 5)
164
TPSA
May have limited oral absorption
5
H-Bond Donors
11
H-Bond Acceptors
1130
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Fusicoccin C3'-Deacetylfusicoccin A3'-MonodeacetylfusicoccinV9WUG372BXUNII-V9WUG372BX26543-87-3(1S,4R,5R,6R,6AS,9S,10AR)-3-((1S)-2-(ACETYLOXY)-1-METHYLETHYL)-1,2,4,5,6,6A,7,8,9,10A-DECAHYDRO-1,5-DIHYDROXY-9-(METHOXYMETHYL)-6,10A-DIMETHYLDICYCLOPENTA(A,D)CYCLOOCTEN-4-YL 6-O-(1,1-DIMETHYL-2-PROPENYL)-.ALPHA.-D-GLUCOPYRANOSIDE(1S,4R,5R,6R,6aS,9S,10aR)-3-((1S)-2-(Acetyloxy)-1-methylethyl)-1,2,4,5,6,6a,7,8,9,10a-decahydro-1,5-dihydroxy-9-(methoxymethyl)-6,10a-dimethyldicyclopenta(a,d)cycloocten-4-yl 6-O-(1,1-dimethyl-2-propenyl)-alpha-D-glucopyranoside.ALPHA.-D-GLUCOPYRANOSIDE, 3-(2-(ACETYLOXY)-1-METHYLETHYL)-1,2,4,5,6,6A,7,8,9,10A-DECAHYDRO-1,5-DIHYDROXY-9-(METHOXYMETHYL)-6,10A-DIMETHYLDICYCLOPENTA(A,D)CYCLOOCTEN-4-YL 6-O-(1,1-DIMETHYL-2-PROPENYL)-, (1S-(1.ALPHA.,3(R*),4.ALPHA.,5.BETA.,6.BETA.,6A.ALPHA.,9.BETA.,10A.BETA.))-alpha-D-Glucopyranoside, 3-(2-(acetyloxy)-1-methylethyl)-1,2,4,5,6,6a,7,8,9,10a-decahydro-1,5-dihydroxy-9-(methoxymethyl)-6,10a-dimethyldicyclopenta(a,d)cycloocten-4-yl 6-O-(1,1-dimethyl-2-propenyl)-, (1S-(1alpha,3(R*),4alpha,5beta,6beta,6a((2S)-2-((1E,3R,4S,8R,9R,10R,11S,14S)-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-8-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(2-methylbut-3-en-2-yloxymethyl)oxan-2-yl)oxy-6-tricyclo(9.3.0.03,7)tetradeca-1,6-dienyl)propyl) acetate[(2S)-2-[(1E,3R,4S,8R,9R,10R,11S,14S)-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(2-methylbut-3-en-2-yloxymethyl)oxan-2-yl]oxy-6-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]propyl] acetateRefChem:141980ALPHA-D-GLUCOPYRANOSIDE, 3-(2-(ACETYLOXY)-1-METHYLETHYL)-1,2,4,5,6,6A,7,8,9,10A-DECAHYDRO-1,5-DIHYDROXY-9-(METHOXYMETHYL)-6,10A-DIMETHYLDICYCLOPENTA(A,D)CYCLOOCTEN-4-YL 6-O-(1,1-DIMETHYL-2-PROPENYL)-, (1S-(1ALPHA,3(R*),4ALPHA,5BETA,6BETA,6AALPHA,9BETA,10ABETA))-De-acetylated Fusicoccin
Data from PubChem (NCBI)
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