Structure Database (LMSD)

Common Name
Bilobetin
Systematic Name
Synonyms
LM ID
LMPK12040013
Formula
Exact Mass
Calculate m/z
552.10565
Status
Active


Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ginkgo biloba (#3311)
Ginkgoopsida (#29811)
Flavonoids of Ginkgo biloba,
Ginkgo Biloba A Global Treasure, 1997

String Representations

InChiKey (Click to copy)
IWEIJEPIYMAGTH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H20O10/c1-39-24-7-4-15(26-12-22(37)29-19(34)9-17(33)10-27(29)40-26)8-18(24)28-20(35)11-21(36)30-23(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-36H,1H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC(OC)=C(C4=C(O)C=C(O)C5C(=O)C=C(C6=CC=C(O)C=C6)OC4=5)C=3)=CC(=O)C=2C(O)=C1

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 6
Aromatic Rings 6
Rotatable Bonds 4
Van der Waals Molecular Volume 450.96
Topological Polar Surface Area 170.80
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 10
logP 7.24
Molar Refractivity 149.93

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Created at
8th Jun 2021
Updated at
8th Jun 2021