Respinomycin B

13-(4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl)oxy-11,15,22,24-tetrahydroxy-12-methoxy-1,11-dimethyl-23-(methylamino)-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2(19),3,5(18),7(16),8,14-hexaene-6,17-dione

Also Known As: Respinomycin B|3,5,12,15-tetrahydroxy-13-methoxy-6,12-dimethyl-4-(methylamino)-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2h-2,6-epoxytetraceno[1,2-b]oxocin-14-yl 6-deoxy-3-c-methyl-2-o-methylhexopyranoside|13-(4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl)oxy-11,15,22,24-tetrahydroxy-12-methoxy-1,11-dimethyl-23-(methylamino)-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2(19),3,5(18),7(16),8,14-hexaene-6,17-dione|13-[(4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl)oxy]-11,15,22,24-tetrahydroxy-12-methoxy-1,11-dimethyl-23-(methylamino)-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2(19),3,5(18),7,9(14),15-hexaene-6,17-dione|14-[(4,5-Dihydroxy-3-methoxy-4,6-dimethyltetrahydro-2H-pyran)-2-yloxy]-4-(methylamino)-3,4,5,6,11,12,13,14-octahydro-3,5,12,15-tetrahydroxy-6,12-dimethyl-13-methoxy-2,6-epoxy-2H-naphthaceno[1,2-b]oxocin-9,16-dione

Molecular Formula	C35H43NO14
Molecular Weight	701.2684 g/mol
LogP	-0.7
Topological Polar Surface Area	223.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	15
Rotatable Bonds	5
Exact Mass	701.2684
Monoisotopic Mass	701.2684
Heavy Atoms	50
Complexity	1340.0

Chemical Identifiers

CAS Number	18228-89-2
SMILES	CC1C(C(C(C(O1)OC2C(C(CC3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC6=C5OC7C(C(C(C6(O7)C)O)NC)O)(C)O)OC)OC)(C)O)O
InChIKey	HXEWDKDWENRZME-UHFFFAOYSA-N