Zhebeininoside

AlkaPlorer ID: AK024498

Synonym: ''

IUPAC Name: (2S,3R,4R,5S,6R)-2-[[(2S,6S,10S,15S,20S,23R)-10,17-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-20-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Structure

SMILES: C[C@H]1CCC2N(C1)C[C@H]1C3CC4[C@@H](CC(O)C5C[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]6O)CC[C@@]54C)C3CCC1[C@]2(C)O

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InChI: InChI=1S/C33H55NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-31,35-40H,4-15H2,1-3H3/t16-,17-,18?,19?,20-,21-,22?,23?,24?,25?,26+,27?,28+,29+,30+,31-,32+,33-/m0/s1

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InChIKey: HRUKKZDXKJUOSO-ZOOLXUNPSA-N

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Reference

PubChem CID: 23304557

NPASS: NPC73807

Properties Information

Molecule Weight: 593.8020000000001

TPSA: 143.08

MolLogP: 1.5023000000000015

Number of H-Donors: 6

Number of H-Acceptors: 9

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information