[(2R,3S,4S,6R)-7-[(4E)-7-{[(3E,5E)-7-{[(2R)-3-[(2S,5R,6R,8S)-8-[(2S,3E)-4-[(2R,4'aS,5R,6'S,8'R,8'aR)-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7'-methylidene-hexahydrospiro[oxolane-2,2'-pyrano[3,2-b]pyr
AlkaPlorer ID: AK250822
Synonym: None
IUPAC Name: [(3E,5E)-7-[(2R)-3-[(2S,6R,8S,11R)-2-[(E,2S)-4-[(2S,2'R,4R,4aR,6R,8aS)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxypropanoyl]oxy-6-methylhepta-3,5-dienyl] (E)-7-oxo-7-[[(2R,4S,5S,6R)-2,4,6-trihydroxy-5,7-disulfooxyheptyl]amino]hept-3-enoate
Structure
SMILES: C=C1[C@@H](O)[C@H]2O[C@@]3(CC[C@@H]2O[C@@H]1[C@@H](O)C[C@H](C)[C@H]1O[C@@]2(CCCCO2)CC[C@H]1C)CC[C@H](/C=C/[C@H](C)[C@@H]1CC(C)=C[C@@]2(O[C@H](C[C@@H](O)C(=O)OC/C(C)=C/C=C/CCOC(=O)C/C=C/CCC(O)=NC[C@H](O)C[C@H](O)[C@H](OS(=O)(=O)O)[C@H](O)COS(=O)(=O)O)CC[C@H]2O)O1)O3
InChI: InChI=1S/C65H101NO27S2/c1-39(15-9-8-13-29-83-56(74)17-11-7-10-16-55(73)66-36-45(67)33-49(69)60(93-95(80,81)82)51(71)38-86-94(77,78)79)37-84-62(76)50(70)34-47-20-21-54(72)65(89-47)35-40(2)31-53(90-65)41(3)18-19-46-23-27-64(88-46)28-24-52-61(92-64)57(75)44(6)59(87-52)48(68)32-43(5)58-42(4)22-26-63(91-58)25-12-14-30-85-63/h7-9,11,15,18-19,35,41-43,45-54,57-61,67-72,75H,6,10,12-14,16-17,20-34,36-38H2,1-5H3,(H,66,73)(H,77,78,79)(H,80,81,82)/b9-8+,11-7+,19-18+,39-15+/t41-,42+,43-,45+,46-,47-,48-,49-,50+,51+,52-,53-,54+,57+,58-,59-,60-,61-,63-,64+,65+/m0/s1
InChIKey: SNPXMIYVNCYJJM-AYONLNDFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Prorocentrum maculosum | Prorocentrum | Prorocentraceae | Prorocentrales | Dinophyceae | None | None | Eukaryota |
Properties Information
Molecule Weight: 1392.6370000000006
TPSA？: 418.61000000000007
MolLogP？: 4.881100000000012
Number of H-Donors: 10
Number of H-Acceptors: 25
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|