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.

beta-Sitosterol-d-glucoside

PubChem CID: 12309060

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

ℹ️ Click here to know more about the properties
Compound Synonyms beta-sitosterol-d-glucoside
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 99.4
Hydrogen Bond Donor Count 4.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC(CC2CCC3C(CCC4C5CCCC5CCC34)C2)CC1
Np Classifier Class Stigmastane steroids
Deep Smiles CC[C@@H]CC)C))CC[C@H][C@H]CC[C@@H][C@]5C)CC[C@H][C@H]6CC=C[C@]6C)CCCC6)O[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O))))))))))))))))))))))C
Heavy Atom Count 41.0
Classyfire Class Steroids and steroid derivatives
Scaffold Graph Node Level C1CCC(OC2CCC3C(CCC4C5CCCC5CCC34)C2)OC1
Classyfire Subclass Stigmastanes and derivatives
Isotope Atom Count 0.0
Molecular Complexity 920.0
Database Name imppat_phytochem;pubchem
Defined Atom Stereocenter Count 13.0
Iupac Name (2R,3R,4S,5S,6R)-2-[[(8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 7.7
Gsk 4 400 Rule False
Molecular Formula C35H60O6
Scaffold Graph Node Bond Level C1=C2CC(OC3CCCCO3)CCC2C2CCC3CCCC3C2C1
Inchi Key NPJICTMALKLTFW-GATNZVKGSA-N
Silicos It Class Moderately soluble
Rotatable Bond Count 9.0
Synonyms beta-sitosterol-d-glucoside, β -sitosterol-d-glucoside, β-sitosterol-d-glucoside
Esol Class Poorly soluble
Functional Groups CC=C(C)C, CO, CO[C@@H](C)OC
Compound Name beta-Sitosterol-d-glucoside
Exact Mass 576.439
Formal Charge 0.0
Monoisotopic Mass 576.439
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 576.8
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 14.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 False
Inchi InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
Smiles CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Steroids

  • 1. Outgoing r'ship FOUND_IN to/from Acacia Senegal (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
  • 2. Outgoing r'ship FOUND_IN to/from Actiniopteris Radiata (Plant) Rel Props:Reference:ISBN:9770972795006
  • 3. Outgoing r'ship FOUND_IN to/from Aerva Lanata (Plant) Rel Props:Reference:ISBN:9788172362089
  • 4. Outgoing r'ship FOUND_IN to/from Alysicarpus Bupleurifolius (Plant) Rel Props:Reference:ISBN:9788172362089
  • 5. Outgoing r'ship FOUND_IN to/from Berberis Pseudumbellata (Plant) Rel Props:Reference:ISBN:9770972795006
  • 6. Outgoing r'ship FOUND_IN to/from Citrullus Colocynthis (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
  • 7. Outgoing r'ship FOUND_IN to/from Cressa Cretica (Plant) Rel Props:Reference:ISBN:9770972795006
  • 8. Outgoing r'ship FOUND_IN to/from Cullen Corylifolium (Plant) Rel Props:Reference:ISBN:9788172363178
  • 9. Outgoing r'ship FOUND_IN to/from Cynodon Dactylon (Plant) Rel Props:Reference:https://doi.org/10.1002/minf.201000163
  • 10. Outgoing r'ship FOUND_IN to/from Daphne Papyracea (Plant) Rel Props:Reference:ISBN:9770972795006
  • 11. Outgoing r'ship FOUND_IN to/from Euphorbia Pulcherrima (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
  • 12. Outgoing r'ship FOUND_IN to/from Ficus Racemosa (Plant) Rel Props:Reference:ISBN:9770972795006
  • 13. Outgoing r'ship FOUND_IN to/from Ficus Religiosa (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788172362300; Standardization of Single Drugs of Unani Medicine Part - IV
  • 14. Outgoing r'ship FOUND_IN to/from Glinus Oppositifolius (Plant) Rel Props:Reference:ISBN:9770972795006
  • 15. Outgoing r'ship FOUND_IN to/from Gloriosa Superba (Plant) Rel Props:Reference:ISBN:9770972795006
  • 16. Outgoing r'ship FOUND_IN to/from Hamelia Patens (Plant) Rel Props:Reference:ISBN:9770972795006
  • 17. Outgoing r'ship FOUND_IN to/from Hedera Nepalensis (Plant) Rel Props:Reference:ISBN:9770972795006
  • 18. Outgoing r'ship FOUND_IN to/from Justicia Adhatoda (Plant) Rel Props:Reference:ISBN:9770972795006
  • 19. Outgoing r'ship FOUND_IN to/from Mirabilis Jalapa (Plant) Rel Props:Reference:ISBN:9770972795006
  • 20. Outgoing r'ship FOUND_IN to/from Physalis Peruviana (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
  • 21. Outgoing r'ship FOUND_IN to/from Plectranthus Amboinicus (Plant) Rel Props:Reference:ISBN:9770972795006
  • 22. Outgoing r'ship FOUND_IN to/from Pluchea Lanceolata (Plant) Rel Props:Reference:ISBN:9780387706375
  • 23. Outgoing r'ship FOUND_IN to/from Vanda Tessellata (Plant) Rel Props:Reference:ISBN:9788172362140; ISBN:9788172363093
Back to Browse   Back to Home