Antibiotic Sch 20561; 32-O-α-D-Glucopyranoside
AlkaPlorer ID: AK288647
Synonym: Antibiotic Sch 20562, Sch 20562
IUPAC Name: N-[(E)-1-[[(15E)-12-(3-amino-3-oxopropyl)-15-ethylidene-21-(1-hydroxyethyl)-18-[(4-hydroxyphenyl)methyl]-3-(1H-imidazol-5-ylmethyl)-7,25-dimethyl-2,5,8,11,14,17,20,23-octaoxo-6-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-1-oxobut-2-en-2-yl]-3-hydroxytetradecanamide
Structure
SMILES: C/C=C(/NC(=O)CC(O)CCCCCCCCCCC)C(=O)NC1C(=O)NC(C(C)O)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)N/C(=C/C)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)N(C)C(C(C)OC2OC(CO)C(O)C(O)C2O)C(=O)NC(CC2=CNC=N2)C(=O)OC1C
InChI: InChI=1S/C63H96N12O21/c1-8-11-12-13-14-15-16-17-18-19-39(79)28-47(81)68-40(9-2)57(88)74-50-34(5)94-62(93)44(27-37-29-65-32-67-37)72-61(92)51(35(6)95-63-54(85)53(84)52(83)45(31-76)96-63)75(7)48(82)30-66-55(86)42(24-25-46(64)80)70-56(87)41(10-3)69-58(89)43(26-36-20-22-38(78)23-21-36)71-59(90)49(33(4)77)73-60(50)91/h9-10,20-23,29,32-35,39,42-45,49-54,63,76-79,83-85H,8,11-19,24-28,30-31H2,1-7H3,(H2,64,80)(H,65,67)(H,66,86)(H,68,81)(H,69,89)(H,70,87)(H,71,90)(H,72,92)(H,73,91)(H,74,88)/b40-9+,41-10+
InChIKey: JZKVLKBVTSOCID-YRYFLTCZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aeromonas sp. | Aeromonas | Aeromonadaceae | Aeromonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1357.524
TPSA？: 511.25000000000006
MolLogP？: -3.22380000000002
Number of H-Donors: 17
Number of H-Acceptors: 22
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|