2-Hydroxy-2-(4-hydroxyphenyl)acetic acid; (S)-form, Nitrile, 2-O-[3,4,5-trihydroxybenzoyl-(→2)-β-D-glucopyranoside]
AlkaPlorer ID: AK301247
Synonym: Glochidacuminoside D
IUPAC Name: [2-[cyano-(4-hydroxyphenyl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
Structure
SMILES: N#CC(OC1OC(CO)C(O)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC=C(O)C=C1
InChI: InChI=1S/C21H21NO11/c22-7-14(9-1-3-11(24)4-2-9)31-21-19(18(29)17(28)15(8-23)32-21)33-20(30)10-5-12(25)16(27)13(26)6-10/h1-6,14-15,17-19,21,23-29H,8H2
InChIKey: BPGKGGZOJNCPKJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Glochidion | Phyllanthaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 463.39500000000015
TPSA？: 210.16
MolLogP？: -0.2451200000000004
Number of H-Donors: 7
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|