(2R,3aS,5aR,5bS,9R,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-[(1E,3S)-3-hydroxybut-1-en-1-yl]-14-methyl-2-{[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}-1H,2H,3H,3aH,5aH,5bH,6H,9H,10H,11H,12H,13H,14H,16aH,16
AlkaPlorer ID: AK195876
Synonym: None
IUPAC Name: (1S,2R,5S,7R,9R,10S,14R,15S,19R)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-[(E,3S)-3-hydroxybut-1-enyl]-14-methyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione
Structure
SMILES: CO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](O[C@H]2C[C@H]3[C@@H]4C=C5C(=O)[C@H](C)[C@@H](O[C@H]6CC[C@H](N(C)C)[C@@H](C)O6)CCC[C@H](/C=C/[C@H](C)O)OC(=O)C[C@H]5[C@@H]4C=C[C@@H]3C2)[C@@H]1OC
InChI: InChI=1S/C43H67NO11/c1-23(45)13-15-28-11-10-12-36(55-38-18-17-35(44(5)6)25(3)51-38)24(2)39(47)34-21-32-30(33(34)22-37(46)53-28)16-14-27-19-29(20-31(27)32)54-43-42(50-9)41(49-8)40(48-7)26(4)52-43/h13-16,21,23-33,35-36,38,40-43,45H,10-12,17-20,22H2,1-9H3/b15-13+/t23-,24+,25+,26-,27+,28+,29+,30+,31+,32+,33-,35-,36-,38-,40-,41+,42+,43-/m0/s1
InChIKey: BUVCOPUYPWATSX-QWCYICENSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Saccharopolyspora pogona | Saccharopolyspora | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 774.0050000000003
TPSA？: 131.45
MolLogP？: 5.0144000000000055
Number of H-Donors: 1
Number of H-Acceptors: 12
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|