Structure database (LMSD)

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LM IDLMPK04000032
Common NameL-Olivosyl-oleandolide
Systematic Name-
Synonyms-
Exact Mass
516.2935 (neutral)    Calculate m/z:
FormulaC26H44O10
CategoryPolyketides [PK]
Main ClassMacrolides and lactone polyketides [PK04]
Sub Class-
PubChem CID443565
KEGG IDC11991
CHEBI ID29614
InChIKeySBBLTTCUMKGRJI-GYHYDPCPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
[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
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms36Rings3Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
503.90Topological Polar
Surface Area
159.42Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
10
 logP3.67Molar
Refractivity
132.63