Molecule

Broussonetine A

AlkaPlorer ID: AK044553

Synonym: ''

IUPAC Name: 1-hydroxy-13-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrrolidin-2-yl]tridecan-4-one

Structure

SMILES: O=C(CCCO)CCCCCCCCC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI: InChI=1S/C24H45NO10/c26-12-8-10-15(29)9-6-4-2-1-3-5-7-11-16-23(19(30)17(13-27)25-16)35-24-22(33)21(32)20(31)18(14-28)34-24/h16-28,30-33H,1-14H2/t16-,17-,18-,19+,20-,21+,22-,23-,24+/m1/s1

InChIKey: LYIJINGICVFWEP-BMSKXHDZSA-N

Reference

Studies on the Constituents of Broussonetia Species. II. Six New Pyrrolidine Alkaloids, Broussonetine A, B, E, F and Broussonetinine A and B, as Inhibitors of Glycosidases from Broussonetia kazinoki SIEB.

PubChem CID: 11755962

LOTUS: LTS0247004

SuperNatural Ⅲ: SN0218765-03

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Broussonetia papyrifera	Broussonetia	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 507.62100000000015

TPSA？: 189.17

MolLogP？: -1.282399999999996

Number of H-Donors: 8

Number of H-Acceptors: 11

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi