13-[(2-O-hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid
Chemical Structure Depiction of
13-[(2-O-hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid
13-[(2-O-hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid
Compound characteristics
| Compound ID: | N062-0002 |
| Compound Name: | 13-[(2-O-hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid |
| Molecular Weight: | 642.74 |
| Molecular Formula: | C32 H50 O13 |
| Smiles: | [H][C@]12CC[C@@]34CC(=C)[C@](CC[C@@]4([H])[C@]1(C)CCC[C@@]2(C)C(O)=O)(C3)OC1C(C(C(C(CO)O1)O)O)OC1C(C(C(C(CO)O1)O)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.2832 |
| logD: | -2.5762 |
| logSw: | -1.1085 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 8 |
| Polar surface area: | 171.326 |
| InChI Key: | OMHUCGDTACNQEX-YPAKGWMPSA-N |