Leucomycin A6

AlkaPlorer ID: AK035436

Synonym: None

IUPAC Name: [6-[6-[[(4R,5S,6S,7R,9R,10R,11Z,13Z,16R)-4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] propanoate

Structure

SMILES: CCC(=O)OC1C(C)OC(OC2C(C)OC(O[C@H]3[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C\C=C/C[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@@H]3OC)C(O)C2N(C)C)CC1(C)O

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InChI: InChI=1S/C40H65NO15/c1-11-30(45)54-38-25(5)51-32(21-40(38,7)48)55-35-24(4)52-39(34(47)33(35)41(8)9)56-36-27(17-18-42)19-22(2)28(44)16-14-12-13-15-23(3)50-31(46)20-29(37(36)49-10)53-26(6)43/h12-14,16,18,22-25,27-29,32-39,44,47-48H,11,15,17,19-21H2,1-10H3/b13-12-,16-14-/t22-,23-,24?,25?,27+,28+,29-,32?,33?,34?,35?,36+,37+,38?,39?,40?/m1/s1

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InChIKey: ABTSKZKCMFRYNP-TXZMDZOJSA-N

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Properties Information

Molecule Weight: 799.9520000000001

TPSA: 206.05

MolLogP: 2.377300000000005

Number of H-Donors: 3

Number of H-Acceptors: 16

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information