Elsamicin B

8-hydroxy-15-methyl-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-4,6-dimethyloxan-2-yl]oxy-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione

Also Known As: Elsamicin B|8-hydroxy-15-methyl-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-4,6-dimethyloxan-2-yl]oxy-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione|10-[(3-C-Methyl-6-deoxy-beta-D-galactopyranosyl)oxy]-6-hydroxy-1-methylbenzo[h][1]benzopyrano[5,4,3-cde][1]benzopyran-5,12-dione|6-Hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[g][2]benzopyrano[5,4,3-cde][2]benzopyran-10-yl 6-deoxy-3-C-methyl-D-galactopyranoside|6-Hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[g][2]benzopyrano[5,4,3-cde][2]benzopyran-10-yl 6-deoxy-3-C-methylhexopyranoside|8-hydroxy-15-methyl-3-((3R,4S,5S,6R)-3,4,5-trihydroxy-4,6-dimethyloxan-2-yl)oxy-11,18-dioxapentacyclo(10.6.2.02,7.09,19.016,20)icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione|Benzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione, 10-((6-deoxy-3-C-methyl-beta-D-galactopyranosyl)oxy)-6-hydroxy-1-methyl-

Molecular Formula	C26H22O10
Molecular Weight	494.1213 g/mol
LogP	2.25402
Topological Polar Surface Area	159.8 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	2
Exact Mass	494.1213
Monoisotopic Mass	494.1213
Heavy Atoms	36
Complexity	1797.0789

Chemical Identifiers

CAS Number	97068-31-0
SMILES	C[C@@H]1[C@@H]([C@]([C@H](C(O1)OC2=CC=CC3=C2C4=C5C6=C(C=CC(=C6C(=O)O4)C)OC(=O)C5=C3O)O)(C)O)O