[(2R,3S,4S,6R)-7-[(4E)-7-{[(2E,4E)-6-{[(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: AK219676
Synonym: None
IUPAC Name: [(2E,4E)-6-[(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-5-methylhexa-2,4-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/COC(=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/C64H99NO27S2/c1-38(14-10-12-28-82-55(73)16-9-7-8-15-54(72)65-35-44(66)32-48(68)59(92-94(79,80)81)50(70)37-85-93(76,77)78)36-83-61(75)49(69)33-46-19-20-53(71)64(88-46)34-39(2)30-52(89-64)40(3)17-18-45-22-26-63(87-45)27-23-51-60(91-63)56(74)43(6)58(86-51)47(67)31-42(5)57-41(4)21-25-62(90-57)24-11-13-29-84-62/h7,9-10,12,14,17-18,34,40-42,44-53,56-60,66-71,74H,6,8,11,13,15-16,19-33,35-37H2,1-5H3,(H,65,72)(H,76,77,78)(H,79,80,81)/b9-7+,12-10+,18-17+,38-14+/t40-,41+,42-,44+,45-,46-,47-,48-,49+,50+,51-,52-,53+,56+,57-,58-,59-,60-,62-,63+,64+/m0/s1
InChIKey: SQONOJOASZUEIB-JOFZAYNRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Prorocentrum maculosum | Prorocentrum | Prorocentraceae | Prorocentrales | Dinophyceae | None | None | Eukaryota |
Properties Information
Molecule Weight: 1378.6100000000006
TPSA？: 418.61000000000007
MolLogP？: 4.491000000000012
Number of H-Donors: 10
Number of H-Acceptors: 25
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|