Simmondsin; 4,6-Diepimer, di-O-de-Me, 3-O-(2-pyrrolecarbonyl), 4-benzoyl
AlkaPlorer ID: AK313555
Synonym: Campyloside B
IUPAC Name: None
Structure
SMILES: N#C/C=C1/C(OC2OC(CO)C(O)C(O)C2O)CC(OC(=O)C2=CC=CC=C2)C(OC(=O)C2=CC=CN2)C1O
InChI: InChI=1S/C26H28N2O11/c27-9-8-14-16(37-26-22(33)21(32)20(31)18(12-29)38-26)11-17(36-24(34)13-5-2-1-3-6-13)23(19(14)30)39-25(35)15-7-4-10-28-15/h1-8,10,16-23,26,28-33H,11-12H2/b14-8-
InChIKey: CPYMRMLEZYENLQ-ZSOIEALJSA-N
Reference
CAS: 1049008-34-5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Campylospermum glaucum | Campylospermum | Ochnaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 544.5130000000004
TPSA？: 211.79
MolLogP？: -0.8346199999999993
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|