This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Gentiside G

PubChem CID: 52948704

Connections displayed (default: 10).
Loading graph...

Compound Synonyms Gentiside G, ((17S)-17-methylnonadecyl) 2,3-dihydroxybenzoate, [(17S)-17-methylnonadecyl] 2,3-dihydroxybenzoate, CHEMBL1254350
Topological Polar Surface Area 66.8
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 31.0
Isotope Atom Count 0.0
Molecular Complexity 425.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name [(17S)-17-methylnonadecyl] 2,3-dihydroxybenzoate
Prediction Hob 0.0
Xlogp 11.2
Molecular Formula C27H46O4
Prediction Swissadme 0.0
Inchi Key PXSMFASSTNYNAH-QHCPKHFHSA-N
Fcsp3 0.7407407407407407
Logs -4.401
Rotatable Bond Count 20.0
Logd 4.546
Compound Name Gentiside G
Prediction Hob Swissadme 0.0
Exact Mass 434.34
Formal Charge 0.0
Monoisotopic Mass 434.34
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 434.7
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -8.439324006451612
Inchi InChI=1S/C27H46O4/c1-3-23(2)19-16-14-12-10-8-6-4-5-7-9-11-13-15-17-22-31-27(30)24-20-18-21-25(28)26(24)29/h18,20-21,23,28-29H,3-17,19,22H2,1-2H3/t23-/m0/s1
Smiles CC[C@H](C)CCCCCCCCCCCCCCCCOC(=O)C1=C(C(=CC=C1)O)O
Nring 1.0
Defined Bond Stereocenter Count 0.0