(2S)-2-[(2S,5R)-5-[(2S,5R)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol
PubChem CID: 163049617
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 77.4 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 822.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (2S)-2-[(2S,5R)-5-[(2S,5R)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol |
| Prediction Hob | 0.0 |
| Xlogp | 4.5 |
| Molecular Formula | C30H52O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CWOPUWSCSNCMMR-SCAOOBCCSA-N |
| Fcsp3 | 0.9333333333333332 |
| Logs | -4.801 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.768 |
| Compound Name | (2S)-2-[(2S,5R)-5-[(2S,5R)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 508.376 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 508.376 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 508.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.294888000000002 |
| Inchi | InChI=1S/C30H52O6/c1-20(2)10-9-16-27(5,32)22-14-18-28(6,35-22)23-11-12-24(33-23)29(7)19-15-25(36-29)30(8)17-13-21(34-30)26(3,4)31/h10,21-25,31-32H,9,11-19H2,1-8H3/t21-,22-,23-,24+,25-,27-,28+,29+,30+/m0/s1 |
| Smiles | CC(=CCC[C@@](C)([C@@H]1CC[C@](O1)(C)[C@@H]2CC[C@@H](O2)[C@]3(CC[C@H](O3)[C@]4(CC[C@H](O4)C(C)(C)O)C)C)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Kopsia Fruticosa (Plant) Rel Props:Source_db:cmaup_ingredients