Structure Database (LMSD)
Common Name
Dalpanol O-glucoside
Systematic Name
Synonyms
3D model of Dalpanol O-glucoside
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Dalbergia lanceolaria subsp. paniculata
(#1357585)
Magnoliopsida
(#3398)
Isoflavonoids of Dalbergia paniculata seeds,
Phytochemistry, 1973
Phytochemistry, 1973
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
XLAVQLXQQIQYSX-MLYWVXOTSA-N
InChi (Click to copy)
InChI=1S/C29H34O12/c1-29(2,41-28-26(34)25(33)24(32)19(10-30)40-28)21-8-14-15(38-21)6-5-12-23(31)22-13-7-17(35-3)18(36-4)9-16(13)37-11-20(22)39-27(12)14/h5-7,9,19-22,24-26,28,30,32-34H,8,10-11H2,1-4H3/t19-,20?,21?,22?,24-,25+,26-,28+/m1/s1
SMILES (Click to copy)
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C(C1OC2C=CC3C(=O)C4C5C(OCC4OC=3C=2C1)=CC(OC)=C(OC)C=5)(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
6
Aromatic Rings
2
Rotatable Bonds
6
Van der Waals Molecular Volume
501.30
Topological Polar Surface Area
170.88
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
12
logP
3.58
Molar Refractivity
145.10
Admin
Created at
-
Updated at
5th Jun 2024