Structure Database (LMSD)
Common Name
Amorphigenin O-glucoside
Systematic Name
Synonyms
Main
Classification
String Representations
InChiKey (Click to copy)
CCBXLSSQLOKUNL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H32O12/c1-12(10-38-29-27(34)26(33)25(32)21(9-30)41-29)17-7-15-16(39-17)5-4-13-24(31)23-14-6-19(35-2)20(36-3)8-18(14)37-11-22(23)40-28(13)15/h4-6,8,17,21-23,25-27,29-30,32-34H,1,7,9-11H2,2-3H3
SMILES (Click to copy)
O(CC(C1OC2C=CC3C(=O)C4C5C(OCC4OC=3C=2C1)=CC(OC)=C(OC)C=5)=C)C1OC(CO)C(O)C(O)C1O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
6
Aromatic Rings
2
Rotatable Bonds
7
Van der Waals Molecular Volume
498.66
Topological Polar Surface Area
170.88
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
12
logP
3.36
Molar Refractivity
145.00
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Created at
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Updated at
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