Gericudranin D
PubChem CID: 44559901
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| Compound Synonyms | gericudranin D, (2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6,8-bis((4-hydroxyphenyl)methyl)-2,3-dihydrochromen-4-one, (2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(4-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one, CHEMBL510170, 172104-06-2 |
|---|---|
| Topological Polar Surface Area | 148.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 37.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 753.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | n.a. |
| Iupac Name | (2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(4-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 5.0 |
| Molecular Formula | C29H24O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LHFMOLHENFWCMZ-WUFINQPMSA-N |
| Fcsp3 | 0.1379310344827586 |
| Logs | -2.705 |
| Rotatable Bond Count | 5.0 |
| Logd | 0.992 |
| Compound Name | Gericudranin D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 500.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 500.147 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 500.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.224218600000001 |
| Inchi | InChI=1S/C29H24O8/c30-18-7-1-15(2-8-18)13-21-24(33)22(14-16-3-9-19(31)10-4-16)29-23(25(21)34)26(35)27(36)28(37-29)17-5-11-20(32)12-6-17/h1-12,27-28,30-34,36H,13-14H2/t27-,28+/m0/s1 |
| Smiles | C1=CC(=CC=C1CC2=C(C(=C3C(=C2O)C(=O)[C@@H]([C@H](O3)C4=CC=C(C=C4)O)O)CC5=CC=C(C=C5)O)O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cissus Tricuspidata (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Cudrania Tricuspidata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Parthenocissus Tricuspidata (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Trichosanthes Tricuspidata (Plant) Rel Props:Reference: