Tolaasin F

AlkaPlorer ID: AK052023

Synonym: None

IUPAC Name: None

Structure

SMILES: C/C=C(\N=C(O)CC(O)CCCCC)C(=O)N1CCC[C@H]1C(O)=N[C@H](CO)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](C(O)=N[C@H](CO)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](C(O)=N[C@@H](C(O)=N[C@H](CCC(=N)O)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](C(O)=N/C(=C\C)C(O)=N[C@H]1C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CCO)C(O)=N[C@H](CCN)C(O)=N[C@@H](CCCCN)C(=O)O[C@@H]1C)C(C)C)C(C)C)C(C)C)C(C)C

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InChI: InChI=1S/C94H163N21O25/c1-21-24-25-29-56(119)44-71(121)98-58(23-3)93(138)115-38-28-31-69(115)87(132)108-67(45-117)85(130)105-65(42-49(8)9)83(128)111-73(52(14)15)90(135)109-68(46-118)86(131)106-66(43-50(10)11)84(129)112-75(54(18)19)91(136)113-74(53(16)17)89(134)102-59(32-33-70(97)120)78(123)104-64(41-48(6)7)82(127)110-72(51(12)13)88(133)99-57(22-2)77(122)114-76-55(20)140-94(139)62(30-26-27-36-95)103-79(124)60(34-37-96)100-80(125)61(35-39-116)101-81(126)63(40-47(4)5)107-92(76)137/h22-23,47-56,59-69,72-76,116-119H,21,24-46,95-96H2,1-20H3,(H2,97,120)(H,98,121)(H,99,133)(H,100,125)(H,101,126)(H,102,134)(H,103,124)(H,104,123)(H,105,130)(H,106,131)(H,107,137)(H,108,132)(H,109,135)(H,110,127)(H,111,128)(H,112,129)(H,113,136)(H,114,122)/b57-22-,58-23-/t55-,56?,59-,60-,61+,62+,63+,64+,65-,66-,67-,68-,69+,72-,73-,74-,75-,76-/m1/s1

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InChIKey: GNSYIOGOBDUEMK-HGHFYUPGSA-N

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Properties Information

Molecule Weight: 1987.46

TPSA: 777.6800000000004

MolLogP: 11.819769999999988

Number of H-Donors: 25

Number of H-Acceptors: 27

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information