Molecule

desertomycin g

AlkaPlorer ID: AK498372

Synonym: None

IUPAC Name: 42-(6-amino-3-hydroxyhexan-2-yl)-8,10,16,20,24,26,28,30,32,34,36,38-dodecahydroxy-7,9,15,19,21,25,31,33-octamethyl-23-[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1-oxacyclodotetraconta-3,5,13,17,21,39-hexaen-2-one

Structure

SMILES: C/C1=C\C(O[C@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(O)C(C)C(O)CC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)/C=C/CC(C(C)C(O)CCCN)OC(=O)/C=C/C=C/C(C)C(O)C(C)C(O)CC/C=C/C(C)C(O)/C=C/C(C)C1O

InChI: InChI=1S/C62H109NO20/c1-33-16-10-12-19-48(70)38(6)57(76)34(2)17-11-13-22-55(74)83-52(37(5)47(69)20-15-25-63)21-14-18-43(65)28-44(66)29-49(71)39(7)58(77)40(8)50(72)30-45(67)31-51(73)41(9)59(78)53(26-36(4)56(75)35(3)23-24-46(33)68)82-54-27-42(32-64)60(79)62(81)61(54)80/h10-11,13-14,16-18,22-24,26,33-35,37-54,56-62,64-73,75-81H,12,15,19-21,25,27-32,63H2,1-9H3/b16-10+,17-11+,18-14+,22-13+,24-23+,36-26+/t33?,34?,35?,37?,38?,39?,40?,41?,42-,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54+,56?,57?,58?,59?,60-,61-,62+/m1/s1

InChIKey: QEFMNASEGQSCIP-WYRMVKFKSA-N

Reference

Desertomycin G, a New Antibiotic with Activity against Mycobacterium tuberculosis and Human Breast Tumor Cell Lines Produced by Streptomyces althioticus MSM3, Isolated from the Cantabrian Sea Intertidal Macroalgae Ulva sp.

LOTUS: LTS0034337

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces althioticus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 1188.541

TPSA？: 405.46

MolLogP？: 0.7379000000000195

Number of H-Donors: 18

Number of H-Acceptors: 21

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi