Orienticin B
AlkaPlorer ID: AK033441
Synonym: None
IUPAC Name: (1R,2S,18S,19R,22R,25R,28R)-2-[(2R,4S,5S,6R)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5-chloro-48-[(2R,3S,4S,5S,6S)-3-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18,32,35,37-tetrahydroxy-19-[[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37,49-pentadecaene-40-carboxylic acid
Structure
SMILES: CN[C@@H](CC(C)C)C(O)=N[C@H]1C(O)=N[C@H](CC(=N)O)C(O)=N[C@H]2C(O)=N[C@H]3C(O)=N[C@@H](C(O)=NC(C(=O)O)C4=CC(O)=CC(O)=C4C4=CC3=CC=C4O)[C@@H](O[C@H]3C[C@](C)(N)[C@H](O)[C@@H](C)O3)C3=CC=C(OC4=CC2=CC(=C4O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2C[C@H](O)[C@H](O)[C@@H](C)O2)OC2=CC=C(C=C2)[C@@H]1O)C(Cl)=C3
InChI: InChI=1S/C72H86ClN9O27/c1-26(2)15-38(76-6)64(94)81-54-57(90)29-7-11-34(12-8-29)104-44-18-32-19-45(61(44)109-71-62(59(92)58(91)46(25-83)106-71)107-48-23-42(87)56(89)27(3)102-48)105-43-14-10-31(17-37(43)73)60(108-49-24-72(5,75)63(93)28(4)103-49)55-69(99)80-53(70(100)101)36-20-33(84)21-41(86)50(36)35-16-30(9-13-40(35)85)51(66(96)82-55)79-67(97)52(32)78-65(95)39(22-47(74)88)77-68(54)98/h7-14,16-21,26-28,38-39,42,46,48-49,51-60,62-63,71,76,83-87,89-93H,15,22-25,75H2,1-6H3,(H2,74,88)(H,77,98)(H,78,95)(H,79,97)(H,80,99)(H,81,94)(H,82,96)(H,100,101)/t27-,28-,38+,39-,42+,46+,48+,49+,51-,52-,53?,54-,55-,56-,57+,58-,59+,60+,62+,63-,71-,72+/m1/s1
InChIKey: VUYIFQIEISVCHE-SEZUVTQISA-N
Reference
New glycopeptide antibiotics. I. The structures of orienticins.
PubChem CID: 139589286
LOTUS: LTS0249355
{NPAtlas: NPA021350
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amycolatopsis orientalis | Amycolatopsis | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1544.9690000000005
TPSA？: 591.1100000000002
MolLogP？: 5.425570000000017
Number of H-Donors: 21
Number of H-Acceptors: 28
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|