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Isocampneoside I

CAT: 0804-HY-N12719Size: 1 EachDry Ice: NoHazardous: No
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Description
Isocampneoside I is an acylated phenethyl oligosaccharide that can be isolated from Cistanche deserticola (Orobanchaceae) . Isocampneoside I inhibits D-galactose-induced cytotoxicity and protects primary hepatocytes in mice[1].
CAS Number
1119034-95-5
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/isocampneoside-i.html
Solubility
10 mM in DMSO
Smiles
O[C@@H]([C@@H](O[C@@H]([C@H]1O)COC(/C=C/C2=CC(O)=C(C=C2)O)=O)OCC(C3=CC(O)=C(C=C3)O)OC)[C@H]1O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O
Molecular Formula
C30H38O16
Molecular Weight
654.61
References & Citations
[1]Pan Y, Morikawa T, Ninomiya K, et al. Bioactive constituents from chinese natural medicines. XXXVI. Four new acylated phenylethanoid oligoglycosides, kankanosides J1, J2, K1, and K2, from stems of Cistanche tubulosa[J]. Chemical and Pharmaceutical Bulletin, 2010, 58 (4) : 575-578.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Isocampneoside I

Isocampneoside I has been reported in Callicarpa macrophylla with data available.

CAS Number1119034-95-5
PubChem CID101849132
IUPAC Name[(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)-2-methoxyethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular FormulaC30H38O16
Molecular Weight654.6
XLogP-1.1
Topological Polar Surface Area255
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Heavy Atom Count46
Formal Charge0
Complexity985
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)OCC(C3=CC(=C(C=C3)O)O)OC)COC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O
InChI
InChI=1S/C30H38O16/c1-13-23(36)25(38)26(39)30(44-13)46-28-24(37)21(12-42-22(35)8-4-14-3-6-16(31)18(33)9-14)45-29(27(28)40)43-11-20(41-2)15-5-7-17(32)19(34)10-15/h3-10,13,20-21,23-34,36-40H,11-12H2,1-2H3/b8-4+/t13-,20?,21+,23-,24+,25+,26+,27+,28-,29+,30-/m0/s1
InChIKey
DEEKDIJUYMOYHW-FAPGXYGISA-N
Chemical Structure
2D Structure
2D structure of Isocampneoside I
CAS: 1119034-95-5
CID: 101849132
Formula: C30H38O16
MW: 654.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight654.6
XLogP3-1.1
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Exact Mass654.21598512
Monoisotopic Mass654.21598512
Topological Polar Surface Area255 Ų
Heavy Atom Count46
Formal Charge0
Complexity985
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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