Axenomycin B

[6-(4,6-dihydroxy-2,4-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl] 3-hydroxy-2-methyl-3-(6-methyl-5,8-dioxonaphthalen-2-yl)propanoate;3,5,7,9,13,14,19,21,23,27,31,32-dodecahydroxy-20,30-dimethyl-15-(3,5,7,9-tetrahydroxy-4,6,8-trimethylundecan-2-yl)-16,34-dioxabicyclo[30.2.2]hexatriacontane-17,33,36-trione

Also Known As: AXENOMYCIN B|Antibiotic FJ 2604 B|FJ-2604-B|[6-(4,6-dihydroxy-2,4-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl] 3-hydroxy-2-methyl-3-(6-methyl-5,8-dioxonaphthalen-2-yl)propanoate;3,5,7,9,13,14,19,21,23,27,31,32-dodecahydroxy-20,30-dimethyl-15-(3,5,7,9-tetrahydroxy-4,6,8-trimethylundecan-2-yl)-16,34-dioxabicyclo[30.2.2]hexatriacontane-17,33,36-trione|[6-(4,6-dihydroxy-2,4-dimethyl-tetrahydropyran-3-yl)oxy-2-methyl-tetrahydropyran-3-yl] 3-hydroxy-2-methyl-3-(6-methyl-5,8-dioxo-2-naphthyl)propanoate; 3,5,7,9,13,14,19,21,23,27,31,32-dodecahydroxy-20,30-dimethyl-15-(2,4,6,8-tetrahydroxy-1,3,5,7-tetramethyl-decyl)-16,34-dioxabicyclo[30.2.2]hexatriacontane-17,33,36-trione|[6-(4,6-dihydroxy-2,4-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl] 3-hydroxy-2-methyl-3-(6-methyl-5,8-dioxonaphthalen-2-yl)propanoate; 3,5,7,9,13,14,19,21,23,27,31,32-dodecahydroxy-20,30-dimethyl-15-(3,5,7,9-tetrahydroxy-4,6,8-trimethylundecan-2-yl)-16,34-dioxabicyclo[30.2.2]hexatriacontane-17,33,36-trione

Molecular Formula	C78H128O31
Molecular Weight	1560.844 g/mol
LogP	1.0106
Topological Polar Surface Area	542.0 Ų
Hydrogen Bond Donors	19
Hydrogen Bond Acceptors	31
Rotatable Bonds	16
Exact Mass	1560.844
Monoisotopic Mass	1560.844
Heavy Atoms	109
Complexity	2510.0

Chemical Identifiers

CAS Number	41975-84-2
SMILES	CCC(C(C)C(C(C)C(C(C)C(C(C)C1C(C(CCCC(CC(CC(CC(CC2CC(=O)C(C(C(CCC(CCCC(CC(C(C(CC(=O)O1)O)C)O)O)O)C)O)(C(=O)O2)O)O)O)O)O)O)O)O)O)O)O.CC1C(CCC(O1)OC2C(OC(CC2(C)O)O)C)OC(=O)C(C)C(C3=CC4=C(C=C3)C(=O)C(=CC4=O)C)O
InChIKey	JFHASUPBUKOUIB-UHFFFAOYSA-N