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86917-62-6

86917-62-6 | [6-[6-[6-[[6-[5-acetyloxy-4-(4,5-dihydroxy-6-methyl-oxan-2-yl)oxy-6-methyl-oxan-2-yl]oxy-3-(3,4-dihydroxy-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-methyl-oxan-4-yl

CAS No: 86917-62-6 Catalog No: AG004LA9 MDL No:

Product Description

Catalog Number:
AG004LA9
Chemical Name:
[6-[6-[6-[[6-[5-acetyloxy-4-(4,5-dihydroxy-6-methyl-oxan-2-yl)oxy-6-methyl-oxan-2-yl]oxy-3-(3,4-dihydroxy-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-methyl-oxan-4-yl
CAS Number:
86917-62-6
Molecular Formula:
C58H84O26
Molecular Weight:
1197.2720
IUPAC Name:
[6-[6-[6-[[6-[5-acetyloxy-4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-8,9-dihydroxy-7-methyl-1-oxo-3,4-dihydro-2H-anthracen-2-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]oxy-3-hydroxy-2-methyloxan-4-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2-methylpropanoate
InChI:
InChI=1S/C58H84O26/c1-21(2)57(70)84-56-28(9)77-42(20-58(56,11)71)81-36-17-39(74-25(6)49(36)66)80-35-18-41(75-26(7)48(35)65)83-55-32(54(72-12)52(69)46(63)23(4)59)14-30-13-31-15-34(22(3)45(62)43(31)50(67)44(30)51(55)68)79-40-19-37(53(27(8)76-40)78-29(10)60)82-38-16-33(61)47(64)24(5)73-38/h13,15,21,23-28,32-33,35-42,46-49,53-56,59,61-67,71H,14,16-20H2,1-12H3
InChI Key:
AKTAFHXHDVVUJW-UHFFFAOYSA-N
SMILES:
COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(C(O5)C)O)C(C(O4)C)OC(=O)C)c(c(c3c(c2C(=O)C1OC1CC(OC2CC(OC3OC(C)C(C(C3)(C)O)OC(=O)C(C)C)C(C(O2)C)O)C(C(O1)C)O)O)O)C)C(=O)C(C(O)C)O

Properties

Complexity:
2230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1196.525g/mol
Formal Charge:
0
Heavy Atom Count:
84  
Hydrogen Bond Acceptor Count:
26  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
1197.284g/mol
Monoisotopic Mass:
1196.525g/mol
Rotatable Bond Count:
20  
Topological Polar Surface Area:
370A^2
Undefined Atom Stereocenter Count:
25  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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