9,10-Anthracenedione, 1-((6-deoxy-alpha-L-mannopyranosyl)oxy)-3,8-dihydroxy-6-methyl-
Basic information
- CAS
71973-18-7- Standard SMILES
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c1C2=O- InChIKey
OPDNGPILBYTWIA-FUCRAMRQSA-N- Molecular formula
- C21H20O9
- Average molar mass
- 416.4 g/mol
- Monoisotopic mass
- 416.11073221
Overview
9,10-Anthracenedione, 1-((6-deoxy-alpha-L-mannopyranosyl)oxy)-3,8-dihydroxy-6-methyl- has been reported in Ventilago denticulata and Cassia javanica with data available.
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1-((6-deoxy-alpha-L-mannopyranosyl)oxy)-3,8-dihydroxy-6-methyl-
- IUPAC
- 1,6-dihydroxy-3-methyl-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyanthracene-9,10-dione
Names & synonyms
71973-18-7Emodin-1-O-alpha-L-rhamnoside9,10-Anthracenedione, 1-((6-deoxy-alpha-L-mannopyranosyl)oxy)-3,8-dihydroxy-6-methyl-DTXSID109926643,8-Dihydroxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl 6-deoxyhexopyranoside3,8-dihydroxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl 6-deoxy-alpha-L-mannopyranoside
Database identifiers
- CAS
71973-18-7- PubChem CID
- 156237
- DTXSID
DTXSID10992664
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 683
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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