Structure Database (LMSD)
Common Name
Sporangimicin A
Systematic Name
6-O-isopropoyl-6'-O-(13-methyl-2Z,4E-tetradecadienoyl)-maltose
Synonyms
3D model of Sporangimicin A
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)
RFJGPGASEICLNW-KHRBBLPLSA-N
InChi (Click to copy)
InChI=1S/C31H52O13/c1-18(2)14-12-10-8-6-5-7-9-11-13-15-22(32)40-16-20-23(33)24(34)27(37)31(43-20)44-28-21(17-41-29(38)19(3)4)42-30(39)26(36)25(28)35/h9,11,13,15,18-21,23-28,30-31,33-37,39H,5-8,10,12,14,16-17H2,1-4H3/b11-9+,15-13-/t20-,21-,23-,24+,25-,26-,27-,28-,30?,31-/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\CCCCCCCC(C)C)=O)O1
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
2
Aromatic Rings
Rotatable Bonds
19
Van der Waals Molecular Volume
623.85
Topological Polar Surface Area
205.81
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
13
logP
4.29
Molar Refractivity
162.74
Admin
Created at
20th Sep 2024
Updated at
20th Sep 2024