UNPD169089
AlkaPlorer ID: AK318516
Synonym: None
IUPAC Name: 2-[2-[(12R,19S,26Z,29S)-26-ethylidene-14,21,28,31-tetrahydroxy-29-[(1R)-1-hydroxyethyl]-12-[(1S)-1-hydroxyethyl]-19-(2-hydroxypropan-2-yl)-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2(7),3,5,8,11(38),13,15,18(37),20,22,25(36),27,30,32-pentadecaen-5-yl]-1,3-thiazol-4-yl]-N-[(Z)-1-hydroxy-1-(2-oxopropylimino)but-2-en-2-yl]-1,3-thiazole-4-carboximidic acid
Structure
SMILES: C/C=C(\N=C(O)C1=CSC(C2=CSC(C3=CC=C4C5=NC(=CS5)C(O)=N[C@@H]([C@@H](C)O)C(O)=N/C(=C\C)C5=NC(=CS5)C(O)=N[C@@H](C(C)(C)O)C5=NC(=CS5)C(O)=N[C@H]([C@H](C)O)C5=NC(=CS5)C4=N3)=N2)=N1)C(O)=NCC(C)=O
InChI: InChI=1S/C48H47N13O10S6/c1-8-23(36(65)49-12-19(3)62)51-37(66)27-15-74-45(56-27)31-18-75-44(58-31)25-11-10-22-34(50-25)26-13-76-46(53-26)33(21(5)64)60-39(68)29-17-77-47(57-29)35(48(6,7)71)61-40(69)30-16-73-43(55-30)24(9-2)52-41(70)32(20(4)63)59-38(67)28-14-72-42(22)54-28/h8-11,13-18,20-21,32-33,35,63-64,71H,12H2,1-7H3,(H,49,65)(H,51,66)(H,52,70)(H,59,67)(H,60,68)(H,61,69)/b23-8-,24-9-/t20-,21+,32+,33-,35-/m1/s1
InChIKey: QFPBQHRZGAWLEX-ZTJBVRSNSA-N
Source
Properties Information
Molecule Weight: 1158.387
TPSA？: 363.53
MolLogP？: 8.87090000000001
Number of H-Donors: 9
Number of H-Acceptors: 23
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|