Structure Database (LMSD)

Common Name
L-Olivosyl-oleandolide
Systematic Name
Synonyms
LM ID
LMPK04000032
Formula
C26H44O10
Exact Mass
Calculate m/z
516.29345
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Macrolides and lactone polyketides [PK04]

String Representations

InChiKey (Click to copy)
SBBLTTCUMKGRJI-GYHYDPCPSA-N
InChi (Click to copy)
InChI=1S/C26H44O10/c1-11-9-26(10-33-26)24(31)14(4)21(29)12(2)16(6)35-25(32)15(5)23(13(3)20(11)28)36-19-8-18(27)22(30)17(7)34-19/h11-23,27-30H,8-10H2,1-7H3/t11-,12-,13+,14+,15+,16+,17-,18-,19-,20-,21-,22-,23-,26+/m0/s1
SMILES (Click to copy)
[C@@]12(C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@H](C)[C@@H](O[C@@H]3O[C@H]([C@H](O)[C@@H](O)C3)C)[C@H](C)[C@@H](O)[C@@H](C)C1)OC2

Other Databases

KEGG ID
C11991
CHEBI ID
29614
PubChem CID
443565

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 3
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 503.90
Topological Polar Surface Area 159.42
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 10
logP 3.67
Molar Refractivity 132.63

Admin

Created at
-
Updated at
-