10-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-8-methoxy-2-methylbenzo[h]chromen-4-one
PubChem CID: 14825730
Connections displayed (default: 10).
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| Topological Polar Surface Area | 214.0 |
|---|---|
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 946.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | 10-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-8-methoxy-2-methylbenzo[h]chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | -0.6 |
| Molecular Formula | C26H30O14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YRIYKHLJFSYDGF-KXJVHCLSSA-N |
| Fcsp3 | 0.5 |
| Logs | -3.78 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.044 |
| Compound Name | 10-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-8-methoxy-2-methylbenzo[h]chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 566.164 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 566.164 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 566.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2736744000000013 |
| Inchi | InChI=1S/C26H30O14/c1-10-3-13(28)18-14(29)5-11-4-12(35-2)6-15(17(11)22(18)38-10)39-24-21(32)20(31)19(30)16(40-24)7-36-25-23(33)26(34,8-27)9-37-25/h3-6,16,19-21,23-25,27,29-34H,7-9H2,1-2H3/t16-,19-,20+,21-,23+,24-,25-,26-/m1/s1 |
| Smiles | CC1=CC(=O)C2=C(O1)C3=C(C=C(C=C3C=C2O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@](CO5)(CO)O)O)O)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Wikstroemia Monticola (Plant) Rel Props:Source_db:cmaup_ingredients