Structure Database (LMSD)

Common Name
Sporangimicin D
Systematic Name
6-O-isopropoyl-6'-O-(15-methyl-2Z,4E-hexadecadienoyl)-maltose
Synonyms
LM ID
LMSL05000023
Formula
C35H60O13
Exact Mass
Calculate m/z
688.403395
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Saccharolipids [SL]
Other acyl sugars [SL05]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unclassified Pseudosporangium (#2682940)
Actinomycetes (#1760)
Sporangimicins A-D, acylated maltose derivatives from a rare actinomycete of the genus Pseudosporangium.,
J Antibiot (Tokyo), 2024
Pubmed ID: 39210002

String Representations

InChiKey (Click to copy)
DYNAUPBCRNMLBF-VQZRZVCSSA-N
InChi (Click to copy)
InChI=1S/C35H60O13/c1-21(2)23(5)17-15-13-11-9-7-6-8-10-12-14-16-18-26(36)44-19-24-27(37)28(38)31(41)35(47-24)48-32-25(20-45-33(42)22(3)4)46-34(43)30(40)29(32)39/h12,14,16,18,21-25,27-32,34-35,37-41,43H,6-11,13,15,17,19-20H2,1-5H3/b14-12+,18-16-/t23?,24-,25-,27-,28+,29-,30-,31-,32-,34?,35-/m1/s1
SMILES (Click to copy)
O([C@@H]1[C@@H](COC(C(C)C)=O)OC(O)[C@H](O)[C@H]1O)[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C\C=C\CCCCCCCCCC(C)C(C)C)=O)O1

Calculated Physicochemical Properties

Heavy Atoms 48
Rings 2
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 693.05
Topological Polar Surface Area 205.81
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 13
logP 5.71
Molar Refractivity 181.14

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Created at
20th Sep 2024
Updated at
20th Sep 2024