Basic information
- CAS
106533-44-2- Standard SMILES
CC1(C)Oc2c(O)cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc2C[C@@H]1O- InChIKey
ASQDBJSRWIDYKK-RDJZCZTQSA-N- Molecular formula
- C20H20O7
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.12090297
Overview
Sigmoidin D is a member of flavanones.
Names & identifiers
- Preferred name
- Sigmoidin D
- IUPAC
- (2S)-2-[(3S)-3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
- English name
- sigmoidin D
- Molecular formula
- C20H20O7
- Molecular weight
- 372.37
Names & synonyms
Sigmoidin DSigmoidin-D106533-44-2(2S)-2-[(3S)-3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-5,7-dihydroxy-2,3-dihydrochromen-4-oneDTXSID60147642(2,6'-Bi-4H-1-Benzopyran)-4-one, 2,2',3,3'-tetrahydro-3',5,7,8'-tetrahydroxy-2',2'-dimethyl-, (S-(R*,R*))-(2S)-2-((3S)-3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dihydroxy-2,3-dihydrochromen-4-oneRefChem:182818DTXCID7070133CHEMBL516331CHEBI:186854BDBM50274968
Show more names
[2,6'-Bi-4H-1-benzopyran]-4-one, 2,2',3,3'-tetrahydro-3',5,7,8'-tetrahydroxy-2',2'-dimethyl-, (2S,3'S)-
(2S,3'S)-3',5,7,8'-Tetrahydroxy-2',2'-dimethyl-2,3,3',4'-tetrahydro-2'H,4H-[2,6'-bi-1-benzopyran]-4-one
Database identifiers
- CAS
106533-44-2- PubChem CID
- 129362
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 579
Chemistry & industry
Additional notes
DefinitionChEBI: Sigmoidin D is a member of flavanones.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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