MANGICROCIN

Structure

2D structure of MANGICROCIN
2D structure
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3D model

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

Names and identifiers

Name

MANGICROCIN

IUPAC name

(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (2E,4E,6E,8E,10E,12E,14E)-2,6,11-trimethyl-15-(2-(3,4,5-trihydroxy-6-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)tetrahydro-2H-pyran-2-yl)acetoxy)hexadeca-2,4,6,8,10,12,14-heptaenoate

SMILES

CC(=C(\C(=C(\C(=C(C)\C(=C(\C(=C(/C)OC(=O)CC1C(C(C(C(O1)C2=C(C=C4C(=C2O)C(=O)C3=CC(=C(C=C3O4)O)O)O)O)O)O)[H])[H])[H])[H])[H])[H])[H])/C(=C(/C(=C(\C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O)[H])[H])[H]

General information

Molecular formula

C45H50O19

Molecular weight

894.88 g/mol

Monoisotopic mass

894.2946 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Crocus vernus (L.) Hill flower 10800 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.