11,17-Dihydroxy-7,7,20,20-tetramethyl-2,8,19,25-tetraoxahexacyclo[12.11.0.03,12.04,9.015,24.018,23]pentacosa-1(14),3(12),4(9),10,15,17,21,23-octaen-13-one
PubChem CID: 5317374
Connections displayed (default: 10).
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| Topological Polar Surface Area | 98.4 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 821.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11,17-dihydroxy-7,7,20,20-tetramethyl-2,8,19,25-tetraoxahexacyclo[12.11.0.03,12.04,9.015,24.018,23]pentacosa-1(14),3(12),4(9),10,15,17,21,23-octaen-13-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C25H22O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HEJQAGASOIXAKR-UHFFFAOYSA-N |
| Fcsp3 | 0.32 |
| Logs | -3.445 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.88 |
| Compound Name | 11,17-Dihydroxy-7,7,20,20-tetramethyl-2,8,19,25-tetraoxahexacyclo[12.11.0.03,12.04,9.015,24.018,23]pentacosa-1(14),3(12),4(9),10,15,17,21,23-octaen-13-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 434.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 434.137 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 434.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.511377800000001 |
| Inchi | InChI=1S/C25H22O7/c1-24(2)7-5-11-16(31-24)10-14(26)18-19(28)17-13-9-15(27)21-12(6-8-25(3,4)32-21)20(13)29-23(17)30-22(11)18/h6,8-10,26-27H,5,7H2,1-4H3 |
| Smiles | CC1(CCC2=C(O1)C=C(C3=C2OC4=C(C3=O)C5=CC(=C6C(=C5O4)C=CC(O6)(C)C)O)O)C |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euchresta Formosana (Plant) Rel Props:Source_db:cmaup_ingredients