Structure Database (LMSD)

O O O O N O O O O O O O O O O O
Common Name
Troleandomycin
Systematic Name
Synonyms
LM ID
LMPK04000042
Formula
C41H67NO15
Exact Mass
Calculate m/z
813.451074
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
LQCLVBQBTUVCEQ-QTFUVMRISA-N
InChi (Click to copy)
InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34-,35-,36-,37+,40-,41+/m0/s1
SMILES (Click to copy)
[C@@]12(C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@H](C)[C@@H](O[C@@H]3O[C@H]([C@H](OC(=O)C)[C@@H](OC)C3)C)[C@H](C)[C@H]([C@@H](C)C1)O[C@@H]1O[C@@H](C[C@H](N(C)C)[C@H]1OC(=O)C)C)OC2

References

Other Databases

Wikipedia
Troleandomycin
KEGG ID
C12753
HMDB ID
HMDB0015448
CHEBI ID
45735
PubChem CID
202225

Calculated Physicochemical Properties

Heavy Atoms 57
Rings 4
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 798.07
Topological Polar Surface Area 190.40
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 16
logP 7.63
Molar Refractivity 209.41

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Created at
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Updated at
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