20(S)-Ginsenoside RH2
PubChem CID: 119307
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| Compound Synonyms | Ginsenoside Rh2, 78214-33-2, 20(S)-Ginsenoside Rh2, (20S)-ginsenoside Rh2, Ginsenoside-Rh2, 20(S)-Ginsenoside, 0JU44A5KWG, (2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol, CHEBI:77147, GINSENOSIDE RH2(S), GINSENOSIDE 20-RH2, (20R)-Ginsenoside Rh2, DTXSID70999457, 20(S)-Rh2, 3-O-.BETA.-D-GLUCOPYRANOSYL-20(S)-PROTOPANAXADIOL, beta-D-Glucopyranoside, (3beta,12beta)-12,20-dihydroxydammar-24-en-3-yl, .BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,12.BETA.)-12,20-DIHYDROXYDAMMAR-24-EN-3-YL, 67400-17-3, GinsenosideRh2, (3beta,12beta)-12,20-dihydroxydammar-24-en-3-yl beta-D-glucopyranoside, (2R,3R,4S,5S,6R)-2-(((3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-((2S)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-yl)oxy)-6-(hydroxymethyl)oxane-3,4,5-triol, 112246-15-8, MFCD00800712, 20S-GinsenosideRh2, 20S-Ginsenoside Rh2, (20R)Ginsenoside Rh2, UNII-0JU44A5KWG, Ginsenoside Rh2 (Standard), 20(S)- Ginsenoside Rh2, (S)-(3b,12b)-12,20-Dihydroxydammar-24-en-3-yl beta-D-glucopyranoside, CHEMBL1783834, SCHEMBL24209709, HY-N0605R, DTXCID401426429, HY-N0605, BDBM50023457, Ginsenoside Rh2, analytical standard, s9023, s9036, AKOS037514675, CCG-270259, CCG-270261, CS-3835, FG65764, OG09293, AC-33940, Ginsenoside Rh2, 20(s)-Ginsenoside Rh2, 1ST156862, C22128, 20S-protopanaxdiol-3-O-beta-D- glucopyranoside, Q27146703, 3-O-BETA-D-GLUCOPYRANOSYL-20(S)-PROTOPANAXADIOL, 3beta-(beta-D-glucopyranosyloxy)dammar-24-ene-3beta,20beta-diol, (3?,12?)-12,20-Dihydroxydammar-24-en-3-yl ?-D-glucopyranoside, (20E)-Ginsenoside F4, 8YG |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 140.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CC2CCC3C(CCC4C5CCCC5CCC34)C2)CC1 |
| Np Classifier Class | Dammarane and Protostane triterpenoids |
| Deep Smiles | OC[C@H]O[C@@H]O[C@H]CC[C@][C@H]C6C)C))CC[C@@][C@@H]6C[C@@H]O)[C@H][C@@]6C)CC[C@@H]5[C@]CCC=CC)C)))))O)C))))))))))C)))))C))))))[C@@H][C@H][C@@H]6O))O))O |
| Heavy Atom Count | 44.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCC(OC2CCC3C(CCC4C5CCCC5CCC34)C2)OC1 |
| Classyfire Subclass | Terpene glycosides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1070.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 15.0 |
| Uniprot Id | P15121, P20815, P00563 |
| Iupac Name | (2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Target Id | NPT41 |
| Xlogp | 5.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C36H62O8 |
| Scaffold Graph Node Bond Level | C1CCC(OC2CCC3C(CCC4C5CCCC5CCC34)C2)OC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CKUVNOCSBYYHIS-IRFFNABBSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.9444444444444444 |
| Logs | -4.167 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.556 |
| Synonyms | 20(s)-ginsenoside rh2, ginsenoside rh2, ginsenoside rh2,20(r)- |
| Esol Class | Poorly soluble |
| Functional Groups | CC=C(C)C, CO, CO[C@@H](C)OC |
| Compound Name | 20(S)-Ginsenoside RH2 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 622.444 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 622.444 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 622.9 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 15.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Esol | -6.767880800000002 |
| Inchi | InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1 |
| Smiles | CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O)C)O)C |
| Nring | 5.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Triterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all