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296776-06-2 | 2H-1-Benzopyran-2-one, 7-[[3-O-(6-deoxy-α-L-galactopyranosyl)-β-D-galactopyranosyl]oxy]-4-methyl-
CAS No: 296776-06-2 Catalog No: AG002Z2Q MDL No:MFCD01320428
Product Description
Catalog Number:
AG002Z2Q
Chemical Name:
2H-1-Benzopyran-2-one, 7-[[3-O-(6-deoxy-α-L-galactopyranosyl)-β-D-galactopyranosyl]oxy]-4-methyl-
CAS Number:
296776-06-2
Molecular Formula:
C22H28O12
Molecular Weight:
484.4505
MDL Number:
MFCD01320428
IUPAC Name:
7-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-methylchromen-2-one
InChI:
InChI=1S/C22H28O12/c1-8-5-14(24)32-12-6-10(3-4-11(8)12)31-22-19(29)20(16(26)13(7-23)33-22)34-21-18(28)17(27)15(25)9(2)30-21/h3-6,9,13,15-23,25-29H,7H2,1-2H3/t9-,13+,15+,16-,17+,18-,19+,20-,21-,22+/m0/s1
InChI Key:
DGLDBLBGGJMALL-BGFAOLMGSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(=O)cc3C)[C@@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)O)O
Properties
Complexity:
760
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
484.158g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
484.454g/mol
Monoisotopic Mass:
484.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
185A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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