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Teicoplanin; Teicoplanin A2-2 

AlkaPlorer ID: AK315099

Synonym: None

IUPAC Name: 22-amino-5,15-dichloro-2-[4,5-dihydroxy-3-(1-hydroxyethylideneamino)-6-(hydroxymethyl)oxan-2-yl]oxy-64-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(1-hydroxy-8-methylnonylidene)amino]oxan-2-yl]oxy-21,26,31,35,38,44,49,54,56,59-decahydroxy-47-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58,62,65-heptacosaene-52-carboxylic acid

Structure

SMILES: CC(O)=NC1C(OC2C3=CC=C(OC4=C(OC5OC(CO)C(O)C(O)C5N=C(O)CCCCCCC(C)C)C5=CC(=C4)C(N=C(O)C4N=C(O)C(CC6=CC=C(O5)C(Cl)=C6)N=C(O)C(N)C5=CC=C(O)C(=C5)OC5=CC(O)=CC4=C5)C(O)=NC4C(O)=NC2C(O)=NC(C(=O)O)C2=CC(O)=CC(OC5OC(CO)C(O)C(O)C5O)=C2C2=CC4=CC=C2O)C(Cl)=C3)OC(CO)C(O)C1O

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InChI: InChI=1S/C88H97Cl2N9O33/c1-33(2)8-6-4-5-7-9-60(108)94-68-74(113)71(110)58(31-101)129-87(68)132-78-55-25-40-26-56(78)126-52-17-13-38(23-47(52)90)77(131-86-67(92-34(3)103)73(112)70(109)57(30-100)128-86)69-84(121)98-66(85(122)123)45-28-42(105)29-54(127-88-76(115)75(114)72(111)59(32-102)130-88)61(45)44-22-37(12-14-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-20-41(104)27-43(21-39)124-53-24-36(11-15-50(53)107)62(91)80(117)93-48(79(116)95-64)19-35-10-16-51(125-55)46(89)18-35/h10-18,20-29,33,48,57-59,62-77,86-88,100-102,104-107,109-115H,4-9,19,30-32,91H2,1-3H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)

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InChIKey: GHOXVFYORXUCPY-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 1879.6800000000007

TPSA？: 690.3300000000003

MolLogP？: 7.741900000000005

Number of H-Donors: 24

Number of H-Acceptors: 33

RingCount: 16

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information