Home Other Building Blocks Baicalin-7-diglucoside

Baicalin-7-diglucoside

CAS No.:
114482-86-9
Catalog Number:
AG008UYJ
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008UYJ
Chemical Name:
Baicalin-7-diglucoside
CAS Number:
114482-86-9
MDL Number:
MFCD22125002
IUPAC Name:
5,6-dihydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
InChI:
InChI=1S/C27H30O15/c28-8-15-19(31)22(34)24(36)26(41-15)38-9-16-20(32)23(35)25(37)27(42-16)40-14-7-13-17(21(33)18(14)30)11(29)6-12(39-13)10-4-2-1-3-5-10/h1-7,15-16,19-20,22-28,30-37H,8-9H2/t15-,16-,19-,20-,22+,23+,24-,25-,26-,27-/m1/s1
InChI Key:
HAYLVXFWJCKKDW-IJTBWITGSA-N
Properties
Complexity:
958  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
594.158g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
594.522g/mol
Monoisotopic Mass:
594.158g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
245A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  
Literature
Title Journal
Oroxin B selectively induces tumor-suppressive ER stress and concurrently inhibits tumor-adaptive ER stress in B-lymphoma cells for effective anti-lymphoma therapy. Toxicology and applied pharmacology 20151015
Properties