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77879-89-1 | Gilvocarcin M
CAS No: 77879-89-1 Catalog No: AG0056WM MDL No:
Product Description
Catalog Number:
AG0056WM
Chemical Name:
Gilvocarcin M
CAS Number:
77879-89-1
Molecular Formula:
C26H26O9
Molecular Weight:
482.4792
IUPAC Name:
1-hydroxy-10,12-dimethoxy-8-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)naphtho[1,2-c]isochromen-6-one
InChI:
InChI=1S/C26H26O9/c1-10-7-14-18(16(8-10)32-3)13-9-17(33-4)20-15(27)6-5-12(19(20)24(13)35-26(14)31)25-23(30)22(29)21(28)11(2)34-25/h5-9,11,21-23,25,27-30H,1-4H3
InChI Key:
LAFIWGHCXCBAPO-UHFFFAOYSA-N
SMILES:
COc1cc2c(c3c1c(O)ccc3C1OC(C)C(C(C1O)O)O)oc(=O)c1c2c(OC)cc(c1)C
Properties
Complexity:
778
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.158g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
482.485g/mol
Monoisotopic Mass:
482.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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