Gomisin L2, (-)-
PubChem CID: 5317807
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| Compound Synonyms | Gomisin L2, (-)-Gomisin L2, 82425-44-3, Gomisin L2, (-)-, UNII-WRH740AQQ5, WRH740AQQ5, Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-3-ol, 5,6,7,8-tetrahydro-1,2,13-trimethoxy-6,7-dimethyl-, (6S,7R,13aS)-, (9S,10R)-3,4,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-5-ol, SCHEMBL1199491, HY-N7826, CS-0138206, Q27292792 |
|---|---|
| Topological Polar Surface Area | 66.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 529.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (9S,10R)-3,4,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-5-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C22H26O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BVMLGLOHSDNEJG-NWDGAFQWSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -4.56 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.965 |
| Compound Name | Gomisin L2, (-)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 386.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 386.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 386.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.379095657142857 |
| Inchi | InChI=1S/C22H26O6/c1-11-6-13-8-15(23)19(24-3)21(25-4)17(13)18-14(7-12(11)2)9-16-20(22(18)26-5)28-10-27-16/h8-9,11-12,23H,6-7,10H2,1-5H3/t11-,12+/m0/s1 |
| Smiles | C[C@H]1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3C[C@H]1C)OCO4)OC)OC)OC)O |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients