Argenteanol
PubChem CID: 71716958
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| Compound Synonyms | Argenteanol, (2R,3S,4S)-2-((1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo(9.7.0.01,3.03,8.012,16)octadecanyl)-6-methylhept-5-ene-1,3,4-triol, (2R,3S,4S)-2-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-6-methylhept-5-ene-1,3,4-triol, CHEMBL2331819, NSC787056, NSC-787056 |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 847.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 11.0 |
| Iupac Name | (2R,3S,4S)-2-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-6-methylhept-5-ene-1,3,4-triol |
| Prediction Hob | 0.0 |
| Xlogp | 6.3 |
| Molecular Formula | C30H50O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YAPWNPLDLBUZDW-XECJJSHOSA-N |
| Fcsp3 | 0.9333333333333332 |
| Logs | -3.986 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.164 |
| Compound Name | Argenteanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 474.371 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 474.371 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 474.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 11.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.4097012000000015 |
| Inchi | InChI=1S/C30H50O4/c1-18(2)15-21(32)25(34)19(16-31)20-9-11-28(6)23-8-7-22-26(3,4)24(33)10-12-29(22)17-30(23,29)14-13-27(20,28)5/h15,19-25,31-34H,7-14,16-17H2,1-6H3/t19-,20+,21-,22-,23-,24-,25-,27+,28-,29+,30-/m0/s1 |
| Smiles | CC(=C[C@@H]([C@H]([C@@H](CO)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C)O)O)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Perviridis (Plant) Rel Props:Source_db:cmaup_ingredients