Baumycin B2

2-[1-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-4-amino-2-methyloxan-3-yl]oxy-3-hydroxybutoxy]propanoic acid

Also Known As: Baumycin B2|Baumycin B1|(8S-cis)-8-Acetyl-10-((3-amino-4-O-(1-(1-carboxyethoxy)-3-hydroxybutyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione|5,12-Naphthacenedione, 8-acetyl-10-((3-amino-4-O-(1-(1-carboxyethoxy)-3-hydroxybutyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-|(8s)-8-acetyl-10alpha-[[3-amino-4-o-[1-(1-carboxyethoxy)-3-hydroxybutyl]-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione|(8S)-8-Acetyl-10alpha-[[3-amino-4-O-[1-(1-carboxyethoxy)-3-hydroxybutyl]-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8alpha,11-trihydroxy-1-methoxy-5,12-naphthacenedione|2-(1-{[(2S,3S,4S,6R)-6-{[(1S,3S)-3-ACETYL-3,5,12-TRIHYDROXY-10-METHOXY-6,11-DIOXO-1,2,3,4,6,11-HEXAHYDROTETRACEN-1-YL]OXY}-4-AMINO-2-METHYLOXAN-3-YL]OXY}-3-HYDROXYBUTOXY)PROPANOIC ACID|2-[1-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-4-amino-2-methyloxan-3-yl]oxy-3-hydroxybutoxy]propanoic acid|5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-amino-4-O-(1-(1-carboxyethoxy)-3-hydroxybutyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-

Molecular Formula	C34H41NO14
Molecular Weight	687.2527 g/mol
LogP	0.2
Topological Polar Surface Area	242.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	15
Rotatable Bonds	11
Exact Mass	687.2527
Monoisotopic Mass	687.2527
Heavy Atoms	49
Complexity	1250.0

Chemical Identifiers

CAS Number	64253-72-1
SMILES	C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)OC(CC(C)O)OC(C)C(=O)O
InChIKey	FEMNWPQDEXLDKE-WDLAWJQVSA-N