Bastadin 12
AlkaPlorer ID: AK049753
Synonym: ''
IUPAC Name: (29S)-5,16,21,32,33-pentabromo-4,20,29-trihydroxy-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.214,17.13,7.119,23]octatriaconta-1(32),3,5,7(38),14,16,19,21,23(35),30,33,36-dodecaene-11,26-dione
Structure
SMILES: O=C1NCCC2=CC(Br)=C(O)C(=C2)OC2=C(Br)C=C(C=C2Br)[C@H](O)CNC(=O)C(=NO)CC2=CC(=C(O)C(Br)=C2)OC2=C(Br)C=C(C=C2)CC1=NO
InChI: InChI=1S/C34H27Br5N4O9/c35-19-5-15-1-2-27(19)51-28-11-17(7-21(37)30(28)45)9-25(43-50)34(48)41-14-26(44)18-12-22(38)32(23(39)13-18)52-29-10-16(6-20(36)31(29)46)3-4-40-33(47)24(8-15)42-49/h1-2,5-7,10-13,26,44-46,49-50H,3-4,8-9,14H2,(H,40,47)(H,41,48)/t26-/m1/s1
InChIKey: YUJCERKJBSZPJE-AREMUKBSSA-N
Source
Properties Information
Molecule Weight: 1035.1289999999997
TPSA？: 202.53
MolLogP？: 7.762400000000007
Number of H-Donors: 7
Number of H-Acceptors: 11
RingCount: 8
Activities Information
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