7'-amino-5,13',22',27'-tetrahydroxy-27',31'-dimethyl-4-(11-methyl-7-methylidene-1-oxacyclopentadeca-3,5,10-trien-13-yn-3-yl)-8',11'-diazaspiro[cyclopentane-1,26'-hexacyclo[21.9.3.1²,⁶.1¹⁶,²⁰.0²⁵,³⁰.0¹
AlkaPlorer ID: AK356641
Synonym: None
IUPAC Name: 7-amino-2',13,22,27-tetrahydroxy-27,31-dimethyl-3'-(11-methyl-7-methylidene-1-oxacyclopentadeca-3,5,10-trien-13-yn-3-yl)spiro[8,11-diazahexacyclo[21.9.3.12,6.116,20.025,30.010,37]heptatriaconta-2(37),3,5,16(36),17,19,30-heptaen-34-yne-26,1'-cyclopentane]-9,32-dione
Structure
SMILES: C=C1C=CC=C(C2CCC3(C4CC5C#CCC(C(=O)C(C)=C4CCC3(C)O)C3=CC=CC4=C3C(NCC(O)CCC3=CC=CC(=C3)CC5O)C(=O)NC4N)C2O)COCC#CCC(C)=CCC1
InChI: InChI=1S/C57H69N3O7/c1-35-12-5-6-29-67-34-41(19-8-15-36(2)14-7-13-35)44-26-28-57(53(44)64)48-32-40-18-10-21-46(52(63)37(3)43(48)25-27-56(57,4)66)45-20-11-22-47-50(45)51(55(65)60-54(47)58)59-33-42(61)24-23-38-16-9-17-39(30-38)31-49(40)62/h8-9,11,13,15-17,19-20,22,30,40,42,44,46,48-49,51,53-54,59,61-62,64,66H,2,7,12,14,21,23-29,31-34,58H2,1,3-4H3,(H,60,65)
InChIKey: CNORHCUEHAQEJT-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 908.1929999999996
TPSA？: 174.37
MolLogP？: 6.805000000000008
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 8
Activities Information
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