Garcicowin D
PubChem CID: 46184558
Connections displayed (default: 10).
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| Compound Synonyms | garcicowin D, CHEMBL1077026, 1207533-32-1 |
|---|---|
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 44.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1340.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1R,3S,4S,9S,11R)-7-(3,4-dihydroxybenzoyl)-10,10-dimethyl-9,11-bis(3-methylbut-2-enyl)-4-(2-methylprop-1-enyl)-3-prop-1-en-2-yl-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione |
| Prediction Hob | 0.0 |
| Xlogp | 9.1 |
| Molecular Formula | C38H48O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AFHKVDYTQYGRHC-BLLUYHQZSA-N |
| Fcsp3 | 0.5 |
| Logs | -4.613 |
| Rotatable Bond Count | 8.0 |
| Logd | 5.307 |
| Compound Name | Garcicowin D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 600.345 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 600.345 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 600.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.883444290909093 |
| Inchi | InChI=1S/C38H48O6/c1-21(2)11-13-26-19-37-20-27(24(7)8)30(17-23(5)6)44-34(37)31(32(41)25-12-14-28(39)29(40)18-25)33(42)38(35(37)43,36(26,9)10)16-15-22(3)4/h11-12,14-15,17-18,26-27,30,39-40H,7,13,16,19-20H2,1-6,8-10H3/t26-,27+,30+,37-,38-/m1/s1 |
| Smiles | CC(=CC[C@@H]1C[C@@]23C[C@H]([C@@H](OC2=C(C(=O)[C@](C3=O)(C1(C)C)CC=C(C)C)C(=O)C4=CC(=C(C=C4)O)O)C=C(C)C)C(=C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Cowa (Plant) Rel Props:Source_db:cmaup_ingredients