A10255G
AlkaPlorer ID: AK004788
Synonym: None
IUPAC Name: 2-[[2-[[2-[[2-[[17-ethylidene-12,15,22,29,36,39-hexahydroxy-14-(1-hydroxyethyl)-31-methyl-38,41-dimethylidene-43,48-dioxa-9,46,47-trithia-3,13,16,19,23,26,30,33,37,40,45,49-dodecazaheptacyclo[40.2.1.18,11.118,21.125,28.132,35.02,7]nonatetraconta-1(44),2(7),3,5,8(49),10,12,15,18,20,22,25,27,29,32,34,36,39,42(45)-nonadecaene-4-carbonyl]amino]-1-hydroxyprop-2-enylidene]amino]-1-hydroxyprop-2-enylidene]amino]-1-hydroxyprop-2-enylidene]amino]prop-2-enoic acid
Structure
SMILES: C=C(N=C(O)C(=C)N=C(O)C(=C)N=C(O)C(=C)NC(=O)C1=CC=C2C3=NC(=CS3)C(O)=NC(C(C)O)C(O)=NC(=CC)C3=NC=C(O3)C(O)=NCC3=NC=C(S3)C(O)=NC(C)C3=NC=C(S3)C(O)=NC(=C)C(O)=NC(=C)C3=NC(=CO3)C2=N1)C(=O)O
InChI: InChI=1S/C52H46N16O15S3/c1-10-28-49-55-13-32(83-49)44(76)54-16-35-53-14-33(85-35)45(77)62-24(7)50-56-15-34(86-50)46(78)60-22(5)40(72)61-23(6)48-66-30(17-82-48)37-27(51-67-31(18-84-51)43(75)68-36(26(9)69)47(79)65-28)11-12-29(64-37)42(74)59-21(4)39(71)57-19(2)38(70)58-20(3)41(73)63-25(8)52(80)81/h10-15,17-18,24,26,36,69H,2-6,8,16H2,1,7,9H3,(H,54,76)(H,57,71)(H,58,70)(H,59,74)(H,60,78)(H,61,72)(H,62,77)(H,63,73)(H,65,79)(H,68,75)(H,80,81)
InChIKey: YBOCJDKNYICWMG-UHFFFAOYSA-N
Reference
The structures of A10255 B, -G and -J: new thiopeptide antibiotics produced by Streptomyces gardneri
PubChem CID: 163050818
LOTUS: LTS0174967
COCONUT: CNP0334331
{NPAtlas: NPA012123
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces gardneri | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1231.2379999999998
TPSA？: 483.56
MolLogP？: 7.901000000000006
Number of H-Donors: 12
Number of H-Acceptors: 23
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|