Kanglemycin A

4-[1-[(9E,19E,21E)-13-acetyloxy-2,15,17-trihydroxy-3,7,12,14,16,22-hexamethyl-11-[(4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl)oxy]-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-18-yl]ethoxy]-3,3-dimethyl-4-oxobutanoic acid

Also Known As: Kanglemycin A|Kanglemeisu A|4-[1-[(9E,19E,21E)-13-acetyloxy-2,15,17-trihydroxy-3,7,12,14,16,22-hexamethyl-11-[(4-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl)oxy]-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-18-yl]ethoxy]-3,3-dimethyl-4-oxobutanoic acid|Rifamycin, 20-(1-(3-carboxy-2,2-dimethyl-1-oxopropoxy)ethyl)-20-demethyl-27-O-demethyl-1,4-dideoxy-27-O-(2,6-dideoxy-3,4-O-methylene-beta-D-ribo-hexopyranosyl)-1,4-dihydro-1,4-dioxo-

Molecular Formula	C50H63NO19
Molecular Weight	981.3994 g/mol
LogP	4.28962
Topological Polar Surface Area	286.28 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	18
Rotatable Bonds	8
Exact Mass	981.3994
Monoisotopic Mass	981.3994
Heavy Atoms	70
Complexity	2417.4893

Chemical Identifiers

CAS Number	114153-91-2
SMILES	CC1C(/C=C/OC2(C(=O)C3=C(O2)C(=C(C4=C3C(=O)C=C(C4=O)NC(=O)/C(=C/C=C/C(C(C(C(C(C1OC(=O)C)C)O)C)O)C(C)OC(=O)C(C)(C)CC(=O)O)/C)O)C)C)OC5CC6C(C(O5)C)OCO6