l-Borneol 7-O-[
PubChem CID: 134715249
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| Compound Synonyms | 88700-35-0, l-Borneol 7-O-[, A-D-apiofuranosyl-(1 inverted exclamation marku6)]-, A-D-glucopyranoside, Borneol 7-O-[beta-D-apiofuranosyl-(1->6)]-beta-D-glucopyranoside, HY-N5137, AKOS040760303, FS-7162, CS-0032529, Borneol 7-O-[beta-D-apiofuranosyl-(1-6)]-beat-D-glucopyranoside, L-Borneol 7-O-[??-D-apiofuranosyl-(1??6)]-??-D-glucopyranoside, (2R,3S,4S,5R,6R)-2-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl]oxy}oxane-3,4,5-triol, (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]oxane-3,4,5-triol |
|---|---|
| Topological Polar Surface Area | 158.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 660.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 11.0 |
| Iupac Name | (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -0.9 |
| Molecular Formula | C21H36O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RVQFSOHDFFWTLD-GJPIQFBBSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.592 |
| Rotatable Bond Count | 6.0 |
| Logd | 0.945 |
| Compound Name | l-Borneol 7-O-[, A-D-apiofuranosyl-(1 inverted exclamation marku6)]-, A-D-glucopyranoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 448.231 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 448.231 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 448.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 11.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6829558000000011 |
| Inchi | InChI=1S/C21H36O10/c1-19(2)10-4-5-20(19,3)12(6-10)31-17-15(25)14(24)13(23)11(30-17)7-28-18-16(26)21(27,8-22)9-29-18/h10-18,22-27H,4-9H2,1-3H3/t10-,11+,12+,13+,14-,15+,16-,17-,18+,20+,21+/m0/s1 |
| Smiles | C[C@]12CC[C@H](C1(C)C)C[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@](CO4)(CO)O)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ophiopogon Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients