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13709-03-0 | 4H-Naphtho[2,3-b]pyran-4-one, 6-(β-D-glucopyranosyloxy)-5,8-dihydroxy-2-methyl-
CAS No: 13709-03-0 Catalog No: AG0012TR MDL No:MFCD13195556
Product Description
Catalog Number:
AG0012TR
Chemical Name:
4H-Naphtho[2,3-b]pyran-4-one, 6-(β-D-glucopyranosyloxy)-5,8-dihydroxy-2-methyl-
CAS Number:
13709-03-0
Molecular Formula:
C20H20O10
Molecular Weight:
420.3668
MDL Number:
MFCD13195556
IUPAC Name:
5-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzo[g]chromen-4-one
InChI:
InChI=1S/C20H20O9/c1-8-5-10(22)15-12(27-8)6-9-3-2-4-11(14(9)17(15)24)28-20-19(26)18(25)16(23)13(7-21)29-20/h2-6,13,16,18-21,23-26H,7H2,1H3/t13-,16-,18+,19-,20-/m1/s1
InChI Key:
SBVZTBIAKFTNIJ-CZNQJBLBSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(O)c2c(c3)oc(cc2=O)C)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity:
652
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
404.111g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
404.371g/mol
Monoisotopic Mass:
404.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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