LIPID MAPS

Structure Database (LMSD)

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Common Name

Tarenninoside G

Systematic Name

Synonyms

3'-O-vanilloylixoside

LM ID

LMPR0102070050

Formula

C₂₄H₂₆O₁₅

Exact Mass

Calculate m/z

554.127175

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

SGLVFKZARKWXQQ-YMRPECIFSA-N

InChi (Click to copy)

InChI=1S/C24H26O15/c1-35-14-6-9(2-5-13(14)26)21(33)38-18-16(27)15(7-25)37-22(17(18)28)39-23-24(34)11(3-4-12(24)20(31)32)10(8-36-23)19(29)30/h2,4-6,8,11,15-18,22-23,25-28,34H,3,7H2,1H3,(H,29,30)(H,31,32)/t11-,15-,16+,17-,18+,22+,23+,24-/m1/s1

SMILES (Click to copy)

C1(C(=O)O)[C@@]2([H])CC=C(C(O)=O)[C@@]2(O)[C@H](O[C@H]2[C@H](O)[C@@H](OC(=O)C3=CC=C(O)C(OC)=C3)[C@@H](O)[C@@H](CO)O2)OC=1

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Tarenna attenuata (#1547788)

Magnoliopsida (#3398)

Iridoid constituents of Tarenna attenuata.,
J Nat Prod, 2006

Pubmed ID: 16792422

Other Databases

PubChem CID

171121222

Calculated Physicochemical Properties

Heavy Atoms 39

Rings 4

Aromatic Rings 1

Rotatable Bonds 9

Van der Waals Molecular Volume 474.15

Topological Polar Surface Area 243.11

Hydrogen Bond Donors 7

Hydrogen Bond Acceptors 15

logP 0.76

Molar Refractivity 126.15

Admin

Created at

24th Jul 2020

Updated at