Ginsenoside Rk2
PubChem CID: 90472238
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| Compound Synonyms | Ginsenoside Rk2, 364779-14-6, (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol, GinsenosideRk2, (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(((3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-yl)oxy)oxane-3,4,5-triol, (3?,12?)-12-Hydroxydammara-20,24-dien-3-yl ?-D-glucopyranoside, 3?,12?-Dihydroxydammar-20(21),24-diene-3-O-?-D-glucopyranoside, PAN 20, , CHEMBL3594354, HY-N2504, MFCD11656143, AKOS030528624, FS-8006, OG31929, AC-34665, DA-73733, CS-0022775, 3beta,12beta-Dihydroxydammar-20(21),24-diene-3-O-beta-D-glucopyranoside, (2R,3R,4S,5S,6R)-2-{[(1S,3AR,3BR,5AR,7S,9AR,9BR,11R,11AR)-11-HYDROXY-3A,3B,6,6,9A-PENTAMETHYL-1-(6-METHYLHEPTA-1,5-DIEN-2-YL)-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-7-YL]OXY}-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL |
|---|---|
| Topological Polar Surface Area | 120.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 43.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1070.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 14.0 |
| Uniprot Id | n.a. |
| Iupac Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | 7.0 |
| Molecular Formula | C36H60O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WMGBQZAELMGYNO-YMWSGFAJSA-N |
| Fcsp3 | 0.8888888888888888 |
| Logs | -4.609 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.797 |
| Compound Name | Ginsenoside Rk2 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 604.434 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 604.434 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 604.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 14.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.557087800000005 |
| Inchi | InChI=1S/C36H60O7/c1-20(2)10-9-11-21(3)22-12-16-36(8)28(22)23(38)18-26-34(6)15-14-27(33(4,5)25(34)13-17-35(26,36)7)43-32-31(41)30(40)29(39)24(19-37)42-32/h10,22-32,37-41H,3,9,11-19H2,1-2,4-8H3/t22-,23-,24-,25+,26-,27+,28+,29-,30+,31-,32+,34+,35-,36-/m1/s1 |
| Smiles | CC(=CCCC(=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)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 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