Spiromentin H
PubChem CID: 101683322
Connections displayed (default: 10).
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| Compound Synonyms | Spiromentin H, CHEBI:226256 |
|---|---|
| Topological Polar Surface Area | 136.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 883.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Prediction Hob | 0.0 |
| Xlogp | 3.7 |
| Molecular Formula | C30H26O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZSWKCSFBENJTNB-PRQACHBZSA-N |
| Fcsp3 | 0.2666666666666666 |
| Logs | -3.683 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.998 |
| Compound Name | Spiromentin H |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 546.153 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 546.153 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 546.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.779373600000002 |
| Inchi | InChI=1S/C30H26O10/c1-15-21(33)11-13-29(35-15)37-25-23(17-3-7-19(31)8-4-17)27-28(40-30(39-27)14-12-22(34)16(2)36-30)24(26(25)38-29)18-5-9-20(32)10-6-18/h3-16,21-22,31-34H,1-2H3/t15-,16-,21+,22+,29?,30?/m1/s1 |
| Smiles | C[C@@H]1[C@H](C=CC2(O1)OC3=C(C4=C(C(=C3O2)C5=CC=C(C=C5)O)OC6(O4)C=C[C@@H]([C@H](O6)C)O)C7=CC=C(C=C7)O)O |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vigna Angularis (Plant) Rel Props:Source_db:cmaup_ingredients