dechromose-A chrommycin A3

HCID 149368

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Basic information

CAS: 120381-88-6
Standard SMILES: COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC(C)=O)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(C)(O)C(OC(C)=O)C(C)O3)C(O)C(C)O2)C(O)C(C)O1
InChIKey: HUKOAMMQHCNVFM-UHFFFAOYSA-N
Molecular formula: C50H70O23
Average molar mass: 1,039.1 g/mol
Monoisotopic mass: 1,038.43078848

Names & identifiers

Preferred name: dechromose-A chrommycin A3
IUPAC: [6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-3-hydroxy-2-methyloxan-4-yl] acetate
English name: [6-[6-[6-[[6-(4-acetyloxy-5-hydroxy-6-methyl-oxan-2-yl)oxy-3-(3,4-dihy droxy-1-methoxy-2-oxo-pentyl)-8,9-dihydroxy-7-methyl-1-oxo-3,4-dihydro -2H-anthracen-2-yl]oxy]-3-hydroxy-2-methyl-oxan-4-yl]oxy-3-hydroxy-2-m ethyl-oxan-4-yl]oxy-4-hydroxy-2,4-dimethyl-oxan-3-yl] acetate
Molecular formula: C50H70O23
Molecular weight: 1039.08

Names & synonyms

Dechromose-A chrommycin A3CRA-B120381-88-6RefChem:131311SCHEMBL29419684Olivomycin D, 3D-O-(4-O-acetyl-2,6-dideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-3A-O-de(2,6-dideoxy-4-O-methyl-beta-L-lyxo-hexopyranosyl)-7-methyl-Olivomycin D, 3D-O-(4-O-acetyl-2,6-dideoxy-3-C-methyl-α-L-arabino-hexopyranosyl)-3A-O-de(2,6-dideoxy-4-O-methyl-β-L-lyxo-hexopyranosyl)-7-methyl- (9CI)[6-[6-[6-[[6-(4-acetyloxy-5-hydroxy-6-methyl-oxan-2-yl)oxy-3-(3,4-dihy droxy-1-methoxy-2-oxo-pentyl)-8,9-dihydroxy-7-methyl-1-oxo-3,4-dihydro -2H-anthracen-2-yl]oxy]-3-hydroxy-2-methyl-oxan-4-yl]oxy-3-hydroxy-2-m ethyl-oxan-4-yl]oxy-4-hydroxy-2,4-dimethyl-oxan-3-yl] acetate

Database identifiers

CAS: 120381-88-6
PubChem CID: 149368

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 332 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 23
Rotatable bonds: 17
Heavy atoms: 73
Formal charge: 0
Complexity: 1,910

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

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