(2S,3S,3aS,5aR,5bS,9R,13S,14R,16aS,16bS)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-3-hydroxy-14-methyl-9-[(1E)-prop-1-en-1-yl]-2-{[(2S,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,
AlkaPlorer ID: AK002022
Synonym: None
IUPAC Name: (1S,2R,5S,6S,7S,9S,10S,14R,15S,19R)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-6-hydroxy-14-methyl-19-[(E)-prop-1-enyl]-7-[(2S,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: C/C=C/[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@H]43)[C@@H]2CC(=O)O1
InChI: InChI=1S/C42H65NO11/c1-10-12-25-13-11-14-33(53-36-18-17-32(43(5)6)23(3)50-36)22(2)37(45)31-19-28-26(30(31)21-35(44)52-25)15-16-27-29(28)20-34(38(27)46)54-42-41(49-9)40(48-8)39(47-7)24(4)51-42/h10,12,15-16,19,22-30,32-34,36,38-42,46H,11,13-14,17-18,20-21H2,1-9H3/b12-10+/t22-,23-,24+,25+,26-,27+,28-,29-,30+,32+,33+,34+,36+,38+,39+,40-,41-,42+/m1/s1
InChIKey: FVJKAJZISUNYDK-XGTJNXPFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Saccharopolyspora pogona | Saccharopolyspora | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 759.9780000000001
TPSA？: 131.45000000000002
MolLogP？: 4.624300000000005
Number of H-Donors: 1
Number of H-Acceptors: 12
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|