Structure Database (LMSD)

Common Name
Sporangimicin C
Systematic Name
6-O-isopropoyl-6'-O-(14-methyl-2Z,4E-hexadecadienoyl)-maltose
Synonyms
LM ID
LMSL05000022
Formula
Exact Mass
Calculate m/z
660.372095
Status
Curated

Classification

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)
XSMHVUDODRNESM-LIJUVZNNSA-N
InChi (Click to copy)
InChI=1S/C33H56O13/c1-5-21(4)16-14-12-10-8-6-7-9-11-13-15-17-24(34)42-18-22-25(35)26(36)29(39)33(45-22)46-30-23(19-43-31(40)20(2)3)44-32(41)28(38)27(30)37/h11,13,15,17,20-23,25-30,32-33,35-39,41H,5-10,12,14,16,18-19H2,1-4H3/b13-11+,17-15-/t21?,22-,23-,25-,26+,27-,28-,29-,30-,32?,33-/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\CCCCCCCCC(CC)C)=O)O1

Calculated Physicochemical Properties

Heavy Atoms 46
Rings 2
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 658.45
Topological Polar Surface Area 205.81
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 13
logP 5.07
Molar Refractivity 171.97

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