vineomycin a1

(3R,4aR,12bS)-4a,8,12b-trihydroxy-9-[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione

CAS: 78164-00-8

Molecular Formula	`C49H58O18`
Molecular Weight	935.0 g/mol
LogP	2.3
Topological Polar Surface Area	249.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	18
Rotatable Bonds	9
Exact Mass	934.3623
Heavy Atoms	67
Complexity	2120.0

Chemical Identifiers

CAS Number	78164-00-8
SMILES	`CC1C(CCC(O1)OC2C(OC(CC2O)C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C=CC6(C5(C(=O)CC(C6)(C)OC7CCC(C(O7)C)OC8C=CC(=O)C(O8)C)O)O)O)C)OC9C=CC(=O)C(O9)C`
InChIKey	`YHSTYYHRDFATAQ-XURVNGJNSA-N`

📖 Product Overview

vineomycin a1 (CAS: 78164-00-8) is a chemical compound with molecular formula C49H58O18 and molecular weight 935.0 g/mol. Its IUPAC systematic name is (3R,4aR,12bS)-4a,8,12b-trihydroxy-9-[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione. LogP 2.3 Topological Polar Surface Area 249.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 18 Rotatable Bonds 9 Exact Mass 934.3623 Heavy Atoms 67 Complexity 2120.0 InChI Key: YHSTYYHRDFATAQ-XURVNGJNSA-N. SMILES: CC1C(CCC(O1)OC2C(OC(CC2O)C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C=CC6(C5(C(=O)CC(C6)(C)OC7CCC(C(O7)C)OC8C=CC(=O)C(O8)C)O)O)O)C)OC9C=CC(=O)C(O9)C.

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