Monazomycin
AlkaPlorer ID: AK025274
Synonym: 'Monazomycin'
IUPAC Name: (8S,9S,10S,13E,15R,16R,17E,19R,20R,21E,23R,24S,25S,26R,28S,29E,31R,32R,33R,36R,38R,39R,40R,41R,42R,44S,46R,47S,48R)-48-[(2R)-8-aminooctan-2-yl]-8,10,16,20,24,26,28,32,36,38,40,42,44,46-tetradecahydroxy-9,15,17,19,21,25,31,33,39,41,47-undecamethyl-23-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclooctatetraconta-13,17,21,29-tetraen-2-one
Structure
SMILES: C/C1=C\[C@@H](C)[C@@H](O)/C(C)=C/[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](C)[C@H](O)C[C@H](O)/C=C/[C@@H](C)[C@H](O)[C@H](C)CC[C@@H](O)C[C@@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)C[C@H](O)C[C@@H](O)[C@H](C)[C@@H]([C@H](C)CCCCCCN)OC(=O)CCCCC[C@H](O)[C@H](C)[C@@H](O)CC/C=C/[C@@H](C)[C@H]1O
InChI: InChI=1S/C72H133NO22/c1-39-22-19-20-25-55(79)46(8)54(78)24-17-15-18-26-62(84)95-71(42(4)23-16-13-14-21-31-73)50(12)59(83)37-53(77)36-58(82)48(10)66(88)47(9)56(80)34-51(75)29-27-40(2)63(85)41(3)28-30-52(76)35-57(81)49(11)67(89)60(33-45(7)65(87)44(6)32-43(5)64(39)86)93-72-70(92)69(91)68(90)61(38-74)94-72/h19,22,28,30,32-33,39-42,44,46-61,63-72,74-83,85-92H,13-18,20-21,23-27,29,31,34-38,73H2,1-12H3/b22-19+,30-28+,43-32+,45-33+/t39-,40-,41-,42-,44-,46+,47-,48-,49+,50+,51-,52-,53+,54+,55+,56-,57-,58-,59-,60-,61-,63-,64-,65-,66-,67+,68+,69+,70+,71-,72+/m1/s1
InChIKey: BTUZNIQVZBANAX-MNWSTTBTSA-N
Source
Properties Information
Molecule Weight: 1364.8410000000003
TPSA？: 434.9200000000001
MolLogP？: 3.4960000000000178
Number of H-Donors: 19
Number of H-Acceptors: 23
RingCount: 2
Activities Information
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