LIPID MAPS

Structure Database (LMSD)

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Common Name

Antiaroside F

Systematic Name

Synonyms

LM ID

LMST01120042

Formula

C₃₅H₅₂O₁₅

Exact Mass

Calculate m/z

712.330625

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Main

Classification

String Representations

InChiKey (Click to copy)

TZDYBTCOMXAYIA-AGHFGJGCSA-N

InChi (Click to copy)

InChI=1S/C35H52O15/c1-15-24(38)26(40)28(42)30(47-15)48-18-5-9-34(32(44)50-31-29(43)27(41)25(39)22(13-36)49-31)17(12-18)3-4-21-20(34)6-8-33(2)19(7-10-35(21,33)45)16-11-23(37)46-14-16/h11,15,17-22,24-31,36,38-43,45H,3-10,12-14H2,1-2H3/t15-,17+,18-,19+,20-,21+,22+,24-,25+,26+,27-,28+,29+,30-,31-,33+,34+,35-/m0/s1

SMILES (Click to copy)

O([C@@H]1C[C@@]2([C@](CC1)([C@@]1([C@@](CC2)([C@@]2([C@](CC1)([C@](CC2)(C1COC(C=1)=O)[H])C)O)[H])[H])C(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)[H])[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Antiaris toxicaria (#241857)

Magnoliopsida (#3398)

Cardiac glycosides from Antiaris toxicaria with potent cardiotonic activity.,
J Nat Prod, 2010

Pubmed ID: 20553004

Other Databases

PubChem CID

46872702

Calculated Physicochemical Properties

Heavy Atoms 50

Rings 7

Aromatic Rings

Rotatable Bonds 7

Van der Waals Molecular Volume 651.47

Topological Polar Surface Area 248.34

Hydrogen Bond Donors 8

Hydrogen Bond Acceptors 15

logP 2.79

Molar Refractivity 174.26

Admin

Created at

17th Dec 2021

Updated at