Machilaminoside A
AlkaPlorer ID: AK304932
Synonym: None
IUPAC Name: 16-hydroxy-17-[1-hydroxy-1-[4-(2-hydroxypropan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]ethyl]-4,4,9,13,14-pentamethyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
Structure
SMILES: CC1(C)C(=O)C(OC2OC(CO)C(O)C(O)C2O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C3=CC(C(C)(C)O)NC(=O)N3)C(O)CC12C
InChI: InChI=1S/C37H54N2O12/c1-32(2)16-9-10-21-34(5)13-18(41)28(37(8,49)23-12-22(33(3,4)48)38-31(47)39-23)35(34,6)14-24(42)36(21,7)17(16)11-19(29(32)46)50-30-27(45)26(44)25(43)20(15-40)51-30/h9,11-12,17-18,20-22,25-28,30,40-41,43-45,48-49H,10,13-15H2,1-8H3,(H2,38,39,47)
InChIKey: RHULMIHUOWNXKM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Machilus | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 718.8410000000002
TPSA？: 235.34
MolLogP？: 0.3179000000000027
Number of H-Donors: 9
Number of H-Acceptors: 12
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|