4,10,15-Trihydroxy-6,8,12,21-tetraoxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1(13),3,5(9),10,14(19),15,17-heptaen-2-one
PubChem CID: 10936784
Connections displayed (default: 10).
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| Topological Polar Surface Area | 115.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 618.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,10,15-trihydroxy-6,8,12,21-tetraoxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1(13),3,5(9),10,14(19),15,17-heptaen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C17H10O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VSKVHHCOZSAZBL-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -4.027 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.84 |
| Compound Name | 4,10,15-Trihydroxy-6,8,12,21-tetraoxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1(13),3,5(9),10,14(19),15,17-heptaen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.038 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 342.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4751057999999997 |
| Inchi | InChI=1S/C17H10O8/c18-7-3-1-2-6-4-22-15-10(19)9-11(20)16-17(24-5-23-16)12(21)13(9)25-14(15)8(6)7/h1-3,18,20-21H,4-5H2 |
| Smiles | C1C2=C(C(=CC=C2)O)C3=C(O1)C(=O)C4=C(C5=C(C(=C4O3)O)OCO5)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Iris Bungei (Plant) Rel Props:Source_db:cmaup_ingredients