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79786-08-6 | D-Glucose, cyclic4,6-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]2,3-bis(3,4,5-trihydroxybenzoate)
CAS No: 79786-08-6 Catalog No: AG005061 MDL No:
Product Description
Catalog Number:
AG005061
Chemical Name:
D-Glucose, cyclic4,6-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]2,3-bis(3,4,5-trihydroxybenzoate)
CAS Number:
79786-08-6
Molecular Formula:
C34H26O22
Molecular Weight:
786.5570
IUPAC Name:
[(1S,2R)-1-[(10R,11R)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-3-oxo-1-(3,4,5-trihydroxybenzoyl)oxypropan-2-yl] 3,4,5-trihydroxybenzoate
InChI:
InChI=1S/C34H26O22/c35-7-20(54-31(49)9-1-13(36)23(43)14(37)2-9)30(56-32(50)10-3-15(38)24(44)16(39)4-10)29-19(42)8-53-33(51)11-5-17(40)25(45)27(47)21(11)22-12(34(52)55-29)6-18(41)26(46)28(22)48/h1-7,19-20,29-30,36-48H,8H2/t19-,20+,29-,30-/m1/s1
InChI Key:
XUZYVFYOPRXTRB-GBJTXXJHSA-N
SMILES:
O=C[C@@H]([C@H]([C@@H]1OC(=O)c2cc(O)c(c(c2c2c(C(=O)OC[C@H]1O)cc(c(c2O)O)O)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O
Properties
Complexity:
1410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
786.092g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
22
Hydrogen Bond Donor Count:
13
Isotope Atom Count:
0
Molecular Weight:
786.56g/mol
Monoisotopic Mass:
786.092g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
385A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Tellimagrandin I, HCV invasion inhibitor from Rosae Rugosae Flos. | Bioorganic & medicinal chemistry letters 20100301 |
| Chebulinic acid and tellimagrandin I inhibit DNA strand breaks by hydroquinone/Cu(II) and H(2)O(2)/Cu(II), but potentiate DNA strand breaks by H(2)O(2)/Fe(II). | Toxicology in vitro : an international journal published in association with BIBRA 20090601 |
| Prooxidant action of chebulinic acid and tellimagrandin I: causing copper-dependent DNA strand breaks. | Toxicology in vitro : an international journal published in association with BIBRA 20090401 |
| Walnut polyphenols prevent liver damage induced by carbon tetrachloride and d-galactosamine: hepatoprotective hydrolyzable tannins in the kernel pellicles of walnut. | Journal of agricultural and food chemistry 20080625 |
| [Studies on hydrolysable tannin constituents in seed of Juglans regia(I)]. | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20070801 |
| Tellimagrandin I enhances gap junctional communication and attenuates the tumor phenotype of human cervical carcinoma HeLa cells in vitro. | Cancer letters 20061008 |
| Inhibitory effect of tellimagrandin I on chemically induced differentiation of human leukemia K562 cells. | Toxicology letters 20040301 |
| Mechanisms of action of corilagin and tellimagrandin I that remarkably potentiate the activity of beta-lactams against methicillin-resistant Staphylococcus aureus. | Microbiology and immunology 20040101 |
| Polyphenolic allelochemicals from the aquatic angiosperm Myriophyllum spicatum inhibit photosystem II. | Plant physiology 20021201 |
| Inhibition of human immunodeficiency viral replication by tannins and related compounds. | Antiviral research 19920501 |
| Inhibition of herpes simplex virus infection by tannins and related compounds. | Antiviral research 19890101 |
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