11,17-Dihydroxy-7,7,20,20-tetramethyl-4-(3-methylbut-2-enyl)-2,6,19,25-tetraoxahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1(14),3(12),4,10,15,17,21,23-octaen-13-one
PubChem CID: 5317373
Connections displayed (default: 10).
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| Topological Polar Surface Area | 98.4 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 37.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 980.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11,17-dihydroxy-7,7,20,20-tetramethyl-4-(3-methylbut-2-enyl)-2,6,19,25-tetraoxahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1(14),3(12),4,10,15,17,21,23-octaen-13-one |
| Prediction Hob | 1.0 |
| Xlogp | 7.4 |
| Molecular Formula | C30H30O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IXYLLIPWMHYUJE-UHFFFAOYSA-N |
| Fcsp3 | 0.3666666666666666 |
| Logs | -1.902 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.407 |
| Compound Name | 11,17-Dihydroxy-7,7,20,20-tetramethyl-4-(3-methylbut-2-enyl)-2,6,19,25-tetraoxahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1(14),3(12),4,10,15,17,21,23-octaen-13-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 502.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 502.199 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 502.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.964490600000001 |
| Inchi | InChI=1S/C30H30O7/c1-14(2)7-8-16-25-15(9-11-29(3,4)36-25)22(32)21-23(33)20-18-13-19(31)26-17(10-12-30(5,6)37-26)24(18)34-28(20)35-27(16)21/h7,10,12-13,31-32H,8-9,11H2,1-6H3 |
| Smiles | CC(=CCC1=C2C(=C(C3=C1OC4=C(C3=O)C5=CC(=C6C(=C5O4)C=CC(O6)(C)C)O)O)CCC(O2)(C)C)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