Teicoplanin A2-3
AlkaPlorer ID: AK001407
Synonym: None
IUPAC Name: None
Structure
SMILES: CCCCCCCCCC(O)=N[C@H]1[C@H](OC2=C3C=C4C=C2OC2=CC=C(C=C2Cl)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H]2N=C(O)[C@H](N=C(O)[C@@H]4N=C(O)[C@H]4N=C(O)[C@@H](CC5=CC=C(O3)C(Cl)=C5)N=C(O)[C@H](N)C3=CC=C(O)C(=C3)OC3=CC(O)=CC4=C3)C3=CC=C(O)C(=C3)C3=C(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)C=C(O)C=C3[C@@H](C(=O)O)N=C2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C88H97Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-10,20,31-33,91H2,1-2H3,(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)/t48-,57-,58-,59-,62-,63-,64+,65-,66+,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88+/m1/s1
InChIKey: BJNLLBUOHPVGFT-PKMGYIMSSA-N
Reference
Structure elucidation of the teicoplanin antibiotics
PubChem CID: 135802367
LOTUS: LTS0118989
{NPAtlas: NPA020142
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinoplanes teichomyceticus | Actinoplanes | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1879.680000000001
TPSA?: 690.3300000000004
MolLogP?: 7.886000000000013
Number of H-Donors: 24
Number of H-Acceptors: 33
RingCount: 16
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|
