Kerriamycin A

(4aR,12bS)-3,4a,8-trihydroxy-9-[(2R,4R,5R,6R)-5-hydroxy-4-[(2S,5S,6S)-5-[(2S,5R,6R)-5-hydroxy-6-methyl-4-oxooxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-12b-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione

Also Known As: Kerriamycin A|KST-1A0197|(4aR,12bS)-3,4a,8-trihydroxy-9-[(2R,4R,5R,6R)-5-hydroxy-4-[(2S,5S,6S)-5-[(2S,5R,6R)-5-hydroxy-6-methyl-4-oxooxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-12b-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione|(1r)-1,5-anhydro-2,6-dideoxy-3-o-{(2s,5s,6s)-5-[(2,6-dideoxy-|A-d-erythro-hexopyranosyl-3-ulose)oxy]-6-methyltetrahydro-2h-pyran-2-yl}-1-[(4ar,12bs)-3,4a,8-trihydroxy-12b-{[(2s,5s,6s)-5-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-3-methyl-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydrotetraphen-9-yl]-d-arabino-hexitol|Benz(a)anthracene-1,7,12(2H)-trione, 9-(2,6-dideoxy-3-O-((2S-(2alpha,5beta,6beta))-5-((2,6-dideoxy-beta-L-erythro-hexopyranos-3-ulos-1-yl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)-beta-D-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-3,4a,8-trihydrox

Molecular Formula	C43H54O17
Molecular Weight	842.3361 g/mol
LogP	0.4
Topological Polar Surface Area	254.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	17
Rotatable Bonds	7
Exact Mass	842.3361
Monoisotopic Mass	842.3361
Heavy Atoms	60
Complexity	1780.0

Chemical Identifiers

CAS Number	6072-04-4
SMILES	C[C@H]1[C@H](CC[C@@H](O1)O[C@]23C(=O)CC(C[C@]2(C=CC4=C3C(=O)C5=C(C4=O)C(=C(C=C5)[C@H]6C[C@H]([C@@H]([C@H](O6)C)O)O[C@H]7CC[C@@H]([C@@H](O7)C)O[C@H]8CC(=O)[C@@H]([C@H](O8)C)O)O)O)(C)O)O
InChIKey	XRDAMDDZBYHZDC-OFNNMFCHSA-N