Guangsangon L
PubChem CID: 10073682
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| Compound Synonyms | Guangsangon L, CHEBI:65983, 5-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxybenzaldehyde, 5-((1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl)-2,4-dihydroxybenzaldehyde, Q27134483, 832733-41-2 |
|---|---|
| Topological Polar Surface Area | 156.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 798.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | 5-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxybenzaldehyde |
| Prediction Hob | 0.0 |
| Xlogp | 4.3 |
| Molecular Formula | C27H24O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QCPFZAFDSWGNMR-YZIHRLCOSA-N |
| Fcsp3 | 0.1851851851851851 |
| Logs | -4.425 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.75 |
| Compound Name | Guangsangon L |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 476.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 476.147 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 476.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.54115362857143 |
| Inchi | InChI=1S/C27H24O8/c1-13-6-20(17-4-2-15(29)9-23(17)32)26(27(35)18-5-3-16(30)10-24(18)33)21(7-13)19-8-14(12-28)22(31)11-25(19)34/h2-5,7-12,20-21,26,29-34H,6H2,1H3/t20-,21+,26-/m1/s1 |
| Smiles | CC1=C[C@H]([C@@H]([C@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C(=C4)C=O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Macroura (Plant) Rel Props:Source_db:cmaup_ingredients