LAMBERTIANIN-B

Structure

2D structure of LAMBERTIANIN-B
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 157010099

Names and identifiers

Name

LAMBERTIANIN-B

IUPAC name

1,2,3,13,14,15,16,17,18,25,26,27-dodecahydroxy-5,11,20,23-tetraoxo-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-7-yl 3-((7-((3,4-dihydroxy-5-((2,3,7,8-tetrahydroxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-1-yl)oxy)benzoyl)oxy)-1,2,3,13,14,15,16,17,18,25,26,27-dodecahydroxy-5,11,20,23-tetraoxo-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-dihydroxybenzoate

SMILES

OC1=CC2=C(C(O)=C1O)C1=C(C=C(O)C(O)=C1O)C(=O)OC1C(COC2=O)OC(OC(=O)C2=CC(O)=C(O)C(OC3=C(O)C(O)=C(O)C4=C3C(=O)OC3C(COC(=O)C5=C4C(O)=C(O)C(O)=C5)OC(OC(=O)C4=CC(O)=C(O)C(OC5=C(O)C(O)=C6OC(=O)C7=CC(O)=C(O)C8=C7C6=C5C(=O)O8)=C4)C4OC(=O)C5=CC(O)=C(O)C(O)=C5C5=C(O)C(O)=C(O)C=C5C(=O)OC34)=C2)C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC12

General information

Molecular formula

C96H58O60

Molecular weight

2,171.46 g/mol

Monoisotopic mass

2,170.1487 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

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.