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149998-38-9

149998-38-9 | 4H-1-Benzopyran-4-one, 6-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-

CAS No: 149998-38-9 Catalog No: AG001M70 MDL No:

Product Description

Catalog Number:
AG001M70
Chemical Name:
4H-1-Benzopyran-4-one, 6-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-
CAS Number:
149998-38-9
Molecular Formula:
C29H34O15
Molecular Weight:
622.5713
IUPAC Name:
6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
InChI:
InChI=1S/C29H34O15/c1-11-20(32)23(35)25(37)28(40-11)44-27-24(36)21(33)18(10-30)42-29(27)43-26-17(39-3)9-16-19(22(26)34)14(31)8-15(41-16)12-4-6-13(38-2)7-5-12/h4-9,11,18,20-21,23-25,27-30,32-37H,10H2,1-3H3/t11-,18+,20-,21+,23+,24-,25+,27+,28-,29-/m0/s1
InChI Key:
HFNIATQIKQCDMZ-VHVDPMTKSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2c(OC)cc3c(c2O)c(=O)cc(o3)c2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O

Properties

Complexity:
1000  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
622.19g/mol
Formal Charge:
0
Heavy Atom Count:
44  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
622.576g/mol
Monoisotopic Mass:
622.19g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
223A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

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