SANGUIIN-H-2
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 74079453
Name
SANGUIIN-H-2
IUPAC name
3-((1,2,3,13,14,15,16,17,18,25,26,27-dodecahydroxy-5,11,20,23-tetraoxo-7-((3,4,5-trihydroxybenzoyl)oxy)-5,6a,7,8a,9,11,20,21a,21b,23-decahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-b][1,5]dioxacycloundecin-19-yl)oxy)-4,5-dihydroxybenzoic acid
SMILES
C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=C(C8=C(C(=C(C=C8C(=O)O1)O)O)O)C(=C(C(=C7OC9=CC(=CC(=C9O)O)C(=O)O)O)O)O
Molecular formula
C48H32O31
Molecular weight
1,104.75 g/mol
Monoisotopic mass
1,104.0928 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Rubus idaeus L. subsp. idaeus | leaf | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|