105274-16-6
Product Name:
4-(3-oxobutyl)phenyl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-O-(3,4,5-trihydroxybenzoyl)-b-D-glucopyranoside
Formula:
C32H32O13
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COMPUTED DESCRIPTORS
| Molecular Weight | 624.6 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 13 |
| Exact Mass | 624.18429107 g/mol |
| Monoisotopic Mass | 624.18429107 g/mol |
| Topological Polar Surface Area | 210 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 991 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |