Structure Database (LMSD)
Common Name
Sporangimicin B
Systematic Name
6-O-isopropoyl-6'-O-(14-methyl-2Z,4E-pentadecadienoyl)-maltose
Synonyms
3D model of Sporangimicin B
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
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
J Antibiot (Tokyo), 2024
Pubmed ID:
39210002
String Representations
InChiKey (Click to copy)
IGCZICWHCUIDME-JQOIYIITSA-N
InChi (Click to copy)
InChI=1S/C32H54O13/c1-19(2)15-13-11-9-7-5-6-8-10-12-14-16-23(33)41-17-21-24(34)25(35)28(38)32(44-21)45-29-22(18-42-30(39)20(3)4)43-31(40)27(37)26(29)36/h10,12,14,16,19-22,24-29,31-32,34-38,40H,5-9,11,13,15,17-18H2,1-4H3/b12-10+,16-14-/t21-,22-,24-,25+,26-,27-,28-,29-,31?,32-/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(C)C)=O)O1
Calculated Physicochemical Properties
Heavy Atoms
45
Rings
2
Aromatic Rings
Rotatable Bonds
20
Van der Waals Molecular Volume
641.15
Topological Polar Surface Area
205.81
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
13
logP
4.68
Molar Refractivity
167.36
Admin
Created at
20th Sep 2024
Updated at
20th Sep 2024