31701-93-6
Product Name:
1-[(2S,3S)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-8-[(2R,3S)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5H-benzocyclohepten-5-one
Formula:
C29H24O12
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 564.5 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 2 |
| Exact Mass | 564.12677620 g/mol |
| Monoisotopic Mass | 564.12677620 g/mol |
| Topological Polar Surface Area | 218 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 1060 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Theaflavine;(-)-Theaflavin is a natural product found in Camellia sinensis with data available.