Merresectine D; O-β-D-Glucopyranoside
AlkaPlorer ID: AK305597
Synonym: Merresectine D glucoside
IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-methoxy-5-(3-methylbut-2-enyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
Structure
SMILES: COC1=CC(C(=O)OC2CC3CCC(C2)N3C)=CC(CC=C(C)C)=C1OC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C27H39NO9/c1-14(2)5-6-15-9-16(26(33)35-19-11-17-7-8-18(12-19)28(17)3)10-20(34-4)25(15)37-27-24(32)23(31)22(30)21(13-29)36-27/h5,9-10,17-19,21-24,27,29-32H,6-8,11-13H2,1-4H3
InChIKey: HAWPTRHHUNNNJJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Merremia | Convolvulaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 521.6070000000003
TPSA？: 138.15
MolLogP？: 1.1645999999999994
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|