Isoriccardin C
PubChem CID: 13831041
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| Compound Synonyms | Isoriccardin C, 15-oxapentacyclo[20.2.2.216,19.110,14.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13,16,18,22,25,27-dodecaene-3,13,24-triol, 15-oxapentacyclo(20.2.2.216,19.110,14.02,7)nonacosa-1(24),2(7),3,5,10(29),11,13,16,18,22,25,27-dodecaene-3,13,24-triol, 110267-44-2 |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 588.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 15-oxapentacyclo[20.2.2.216,19.110,14.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13,16,18,22,25,27-dodecaene-3,13,24-triol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 6.5 |
| Is Pains | False |
| Molecular Formula | C28H24O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZKRAPLUKBRYFFL-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Rotatable Bond Count | 0.0 |
| Compound Name | Isoriccardin C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 424.167 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 424.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 424.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.1344752 |
| Inchi | InChI=1S/C28H24O4/c29-24-15-10-20-6-11-21-2-1-3-25(30)28(21)23-14-9-19(16-26(23)31)5-4-18-7-12-22(13-8-18)32-27(24)17-20/h1-3,7-10,12-17,29-31H,4-6,11H2 |
| Smiles | C1CC2=CC(=C(C=C2)C3=C(CCC4=CC(=C(C=C4)O)OC5=CC=C1C=C5)C=CC=C3O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Marchantia Polymorpha (Plant) Rel Props:Source_db:cmaup_ingredients