alpha2-Rmn-A

7-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Also Known As: ALPHA2-RMN-A|(7R-(7alpha,8beta,10beta))-8-Ethyl-7,8,9,10-tetrahydro-1,4,6,7,8-pentahydroxy-10-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione|5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,4,6,7,8-pentahydroxy-10-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (7R-(7alpha,8beta,10beta))-|8-Ethyl-7,8,9,10-tetrahydro-1,4,6,7,8-pentahydroxy-10-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione (7R-(7alpha,8beta,10beta))-|3-Ethyl-3,4,5,7,10-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-(6-methyl-5-oxooxan-2-yl)hexopyranosyl]-3-(dimethylamino)hexopyranoside|7-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Molecular Formula	C40H51NO15
Molecular Weight	785.32587 g/mol
LogP	2.8
Topological Polar Surface Area	231.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	16
Rotatable Bonds	8
Exact Mass	785.32587
Monoisotopic Mass	785.32587
Heavy Atoms	56
Complexity	1450.0

Chemical Identifiers

CAS Number	80930-58-1
SMILES	CCC1(CC(C2=CC3=C(C(=C2C1O)O)C(=O)C4=C(C=CC(=C4C3=O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O
InChIKey	RYNVUDIYVNYQCU-UHFFFAOYSA-N