Structure Database (LMSD)
Common Name
L-Oleandrosyl-oleandolide
Systematic Name
Synonyms
3D model of L-Oleandrosyl-oleandolide
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
WBLQSDZLJBWRPL-WQMXQYMNSA-N
InChi (Click to copy)
InChI=1S/C27H46O10/c1-12-10-27(11-34-27)25(31)15(4)22(29)13(2)17(6)36-26(32)16(5)24(14(3)21(12)28)37-20-9-19(33-8)23(30)18(7)35-20/h12-24,28-30H,9-11H2,1-8H3/t12-,13-,14+,15+,16+,17+,18-,19-,20-,21-,22-,23-,24-,27+/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](OC)C3)C)[C@H](C)[C@@H](O)[C@@H](C)C1)OC2
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
37
Rings
3
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
521.20
Topological Polar Surface Area
148.42
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
10
logP
4.32
Molar Refractivity
137.42
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Created at
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Updated at
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