Teicoplanin A2-5
AlkaPlorer ID: AK094670
Synonym: None
IUPAC Name: (1S,2R,19R,22S,34S,37R,40R,52R)-22-amino-5,15-dichloro-2-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(1-hydroxyethylideneamino)-6-(hydroxymethyl)oxan-2-yl]oxy-64-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(1-hydroxy-9-methyldecylidene)amino]oxan-2-yl]oxy-21,26,31,35,38,44,49,54,56,59-decahydroxy-47-[(2R,3S,4S,5S,6R)-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)=N[C@H]1[C@H](O[C@@H]2C3=CC=C(OC4=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5N=C(O)CCCCCCCC(C)C)C5=CC(=C4)[C@@H](N=C(O)[C@H]4N=C(O)[C@@H](CC6=CC=C(O5)C(Cl)=C6)N=C(O)[C@@H](N)C5=CC=C(O)C(=C5)OC5=CC(O)=CC4=C5)C(O)=N[C@H]4C(O)=N[C@@H]2C(O)=N[C@@H](C(=O)O)C2=CC(O)=CC(O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)=C2C2=CC4=CC=C2O)C(Cl)=C3)O[C@H](CO)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C89H99Cl2N9O33/c1-34(2)9-7-5-4-6-8-10-61(109)95-69-75(114)72(111)59(32-102)130-88(69)133-79-56-26-41-27-57(79)127-53-18-14-39(24-48(53)91)78(132-87-68(93-35(3)104)74(113)71(110)58(31-101)129-87)70-85(122)99-67(86(123)124)46-29-43(106)30-55(128-89-77(116)76(115)73(112)60(33-103)131-89)62(46)45-23-38(13-15-50(45)107)64(82(119)100-70)97-84(121)66(41)98-83(120)65-40-21-42(105)28-44(22-40)125-54-25-37(12-16-51(54)108)63(92)81(118)94-49(80(117)96-65)20-36-11-17-52(126-56)47(90)19-36/h11-19,21-30,34,49,58-60,63-78,87-89,101-103,105-108,110-116H,4-10,20,31-33,92H2,1-3H3,(H,93,104)(H,94,118)(H,95,109)(H,96,117)(H,97,121)(H,98,120)(H,99,122)(H,100,119)(H,123,124)/t49-,58-,59-,60-,63+,64-,65+,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76+,77+,78-,87+,88+,89+/m1/s1
InChIKey: FHBQKTSCJKPYIO-OXIGXJDJSA-N
Reference
Structure elucidation of the teicoplanin antibiotics
PubChem CID: 16129712
CAS: 91032-38-1
LOTUS: LTS0002795
{NPAtlas: NPA020143
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinoplanes teichomyceticus | Actinoplanes | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1893.7070000000008
TPSA？: 690.3300000000003
MolLogP？: 8.132
Number of H-Donors: 24
Number of H-Acceptors: 33
RingCount: 16
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|