A82548A
AlkaPlorer ID: AK033895
Synonym: 'A82548A'
IUPAC Name: (1S,3S,5R,6S,6'R,8S,9E,14S,15S,16R,17R,18R,19S,20R,21E,25S,27R,29R)-16-[(2S,4S,5S,6S)-5-(dimethylamino)-4-hydroxy-6-methyloxan-2-yl]oxy-5,15,17,19,20-pentahydroxy-6'-[(2R)-2-hydroxybutyl]-6,14,18,20,29-pentamethylspiro[4,24,28-trioxatricyclo[23.3.1.03,8]nonacosa-9,21-diene-27,2'-oxane]-23-one
Structure
SMILES: CC[C@@H](O)C[C@H]1CCC[C@@]2(C[C@@H]3OC(=O)/C=C/[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](O[C@H]4C[C@H](O)[C@H](N(C)C)[C@H](C)O4)[C@@H](O)[C@@H](C)CCC/C=C/[C@@H]4C[C@H](C)[C@H](O)O[C@H]4C[C@H](O2)[C@H]3C)O1
InChI: InChI=1S/C47H81NO14/c1-10-32(49)22-33-17-14-19-47(61-33)25-37-28(4)35(62-47)24-36-31(21-27(3)45(55)59-36)16-13-11-12-15-26(2)41(52)43(60-39-23-34(50)40(48(8)9)30(6)57-39)42(53)29(5)44(54)46(7,56)20-18-38(51)58-37/h13,16,18,20,26-37,39-45,49-50,52-56H,10-12,14-15,17,19,21-25H2,1-9H3/b16-13+,20-18+/t26-,27-,28+,29+,30-,31+,32+,33+,34-,35-,36-,37-,39-,40+,41-,42+,43+,44-,45+,46+,47+/m0/s1
InChIKey: LFLPRACEAAMLQA-IONONHRPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces diastatochromogenes | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 884.158
TPSA？: 217.29999999999995
MolLogP？: 3.712700000000005
Number of H-Donors: 7
Number of H-Acceptors: 15
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|