Dexylosylbenanomicin B

(2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5R,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid

CAS: 128110-33-8

Molecular Formula	`C34H34N2O14`
Molecular Weight	694.6 g/mol
LogP	-0.9
Topological Polar Surface Area	276.0 A2
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	15
Rotatable Bonds	6
Exact Mass	694.201
Heavy Atoms	50
Complexity	1330.0

Chemical Identifiers

CAS Number	128110-33-8
SMILES	`CC1C(C(C(C(O1)OC2C(C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NC(C)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)O)N`
InChIKey	`RLAZQZRIYCOWMY-JAULALIESA-N`

📖 Product Overview

Dexylosylbenanomicin B (CAS: 128110-33-8) is a chemical compound with molecular formula C34H34N2O14 and molecular weight 694.6 g/mol. Its IUPAC systematic name is (2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5R,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid. LogP -0.9 Topological Polar Surface Area 276.0 A2 Hydrogen Bond Donors 9 Hydrogen Bond Acceptors 15 Rotatable Bonds 6 Exact Mass 694.201 Heavy Atoms 50 Complexity 1330.0 InChI Key: RLAZQZRIYCOWMY-JAULALIESA-N. SMILES: CC1C(C(C(C(O1)OC2C(C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NC(C)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)O)N.

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