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Ginsenoside Rc

PubChem CID: 12855889

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Compound Synonyms Ginsenoside Rc, 11021-14-0, Panaxoside RC, ginsenoside-Rc, NSC 310104, UNII-0K83B0L786, CHEBI:77154, EINECS 234-253-5, MFCD00133368, 0K83B0L786, BRN 1677618, NSC-310104, GinsenosideRc, (3beta,12beta)-20-((6-O-(alpha-L-arabinofuranosyl)-beta-D-glucopyranosyl)oxy)-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside, (3beta,12beta)-20-{[6-O-(alpha-L-arabinofuranosyl)-beta-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside, 20-(alpha-L-arabinofuranosyl-(1->2)-beta-D glucopyranosyloxy)-3beta-(beta-D-glucopyranosyl-(1->2)-beta-D glucopyranosyloxy)dammar-24-en-12beta-ol, 20-[alpha-L-arabinofuranosyl-(1->2)-beta-D glucopyranosyloxy]-3beta-[beta-D-glucopyranosyl-(1->2)-beta-D glucopyranosyloxy]dammar-24-en-12beta-ol, Ginsenoside Rc (Standard), CHEMBL451702, HY-N0042R, DTXSID60911542, JDCPEKQWFDWQLI-LUQKBWBOSA-N, EX-A6779, HY-N0042, s9266, AKOS037514670, CCG-270633, CS-3837, OG09295, NCGC00485983-01, 1ST40134, AC-34659, AS-56539, beta-D-Glucopyranoside, (3beta,12beta)-20-((6-O-alpha-L-arabinofuranosyl-beta-D-glucopyranosyl)oxy)-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-, NS00066757, Q27146714, GINSENOSIDE RC (CONSTITUENT OF AMERICAN GINSENG, ASIAN GINSENG, AND TIENCHI GINSENG), (3b,12b)-20-[(6-O-a-L-Arabinofuranosyl-b-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-(b-D-glucopyranosyl)-b-D-glucopyranos ide, Panaxoside Rc, .BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,12.BETA.)-20-((6-O-.ALPHA.-L-ARABINOFURANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-12-HYDROXYDAMMAR-24-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANOSYL-, 20-((6-O-alpha-L-Arabinofuranosyl-beta-D-glucopyranosyl)oxy)-12beta-hydroxydammar-24-en-3beta-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside, 234-253-5, GINSENOSIDE RC (CONSTITUENT OF AMERICAN GINSENG, ASIAN GINSENG, AND TIENCHI GINSENG) [DSC]
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 357.0
Hydrogen Bond Donor Count 14.0
Pfizer 3 75 Rule True
Scaffold Graph Level C1CCC(CC2CCCCC2CC2CCC3C(CCC4C5CCC(CCC6CCCC(CCC7CCCC7)C6)C5CCC34)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@@]O[C@@H]O[C@H]CO[C@@H]O[C@H][C@@H][C@H]5O))O))CO)))))))[C@H][C@@H][C@H]6O))O))O))))))CCC=CC)C)))))C))))))))))C)))))C))))))[C@@H][C@H][C@@H]6O))O))O[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O
Heavy Atom Count 75.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level C1CCC(OC2CCCOC2OC2CCC3C(CCC4C5CCC(COC6CCCC(COC7CCCO7)O6)C5CCC34)C2)OC1
Classyfire Subclass Terpene glycosides
Isotope Atom Count 0.0
Molecular Complexity 1950.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 29.0
Uniprot Id Q96EB6
Iupac Name (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-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]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Prediction Hob 0.0
Veber Rule False
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 0.9
Gsk 4 400 Rule False
Molecular Formula C53H90O22
Scaffold Graph Node Bond Level C1CCC(OC2CCCOC2OC2CCC3C(CCC4C5CCC(COC6CCCC(COC7CCCO7)O6)C5CCC34)C2)OC1
Prediction Swissadme 0.0
Inchi Key JDCPEKQWFDWQLI-LUQKBWBOSA-N
Fcsp3 0.9622641509433962
Logs -2.747
Rotatable Bond Count 16.0
Logd 2.372
Synonyms ginsenoside rc
Functional Groups CC=C(C)C, CO, CO[C@@H](C)OC
Compound Name Ginsenoside Rc
Prediction Hob Swissadme 0.0
Exact Mass 1078.59
Formal Charge 0.0
Monoisotopic Mass 1078.59
Hydrogen Bond Acceptor Count 22.0
Molecular Weight 1079.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 29.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 False
Esol -6.036242200000005
Inchi InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-68-45-41(65)36(60)28(21-56)69-45)24-11-16-52(7)33(24)25(57)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)35(59)27(20-55)71-48)74-46-42(66)38(62)34(58)26(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28-,29+,30-,31+,32-,33-,34+,35+,36-,37+,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48-,50-,51+,52+,53-/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@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H](O8)CO)O)O)O)O)O)C
Nring 8.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Np Classifier Superclass Triterpenoids

  • 1. Outgoing r'ship FOUND_IN to/from Paeonia Officinalis (Plant) Rel Props:Reference:ISBN:9788185042138
  • 2. Outgoing r'ship FOUND_IN to/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Panax Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Panax Pseudoginseng (Plant) Rel Props:Reference:ISBN:9788185042138
  • 6. Outgoing r'ship FOUND_IN to/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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