(2S)-N-[(4S,4aS,6R,8S,8aR)-6-[(2R)-2,6-dihydroxyhexyl]-8-methoxy-7,7-dimethyl-hexahydropyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
AlkaPlorer ID: AK013121
Synonym: None
IUPAC Name: (2S)-N-[(4S,4aS,6R,8S,8aR)-6-[(2R)-2,6-dihydroxyhexyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
Structure
SMILES: C=C1C[C@](OC)([C@H](O)C(O)=N[C@H]2OCO[C@H]3[C@@H]2O[C@H](C[C@H](O)CCCCO)C(C)(C)[C@@H]3OC)O[C@H](C)[C@@H]1C
InChI: InChI=1S/C27H47NO10/c1-15-13-27(34-7,38-17(3)16(15)2)22(31)24(32)28-25-21-20(35-14-36-25)23(33-6)26(4,5)19(37-21)12-18(30)10-8-9-11-29/h16-23,25,29-31H,1,8-14H2,2-7H3,(H,28,32)/t16-,17-,18-,19-,20+,21+,22-,23-,25+,27-/m1/s1
InChIKey: AHTAOAFUYYVTGB-DETOTNDMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Theonella swinhoei | Theonella | Theonellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 545.6700000000003
TPSA？: 148.66
MolLogP？: 2.0688000000000004
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|