Isoalangiside
AlkaPlorer ID: AK010709
Synonym: '', 'Isoalangiside', 'alangiside', 'Alangiside', 'MLSMR', 'SMR001215815', 'MLS000563039'
IUPAC Name: (1R,16R,17S)-16-ethenyl-4-hydroxy-5-methoxy-15-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-11-one
Structure
SMILES: C=C[C@H]1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CCC4=C(C=C(O)C(OC)=C4)[C@H]3C[C@H]21
InChI: InChI=1S/C25H31NO10/c1-3-12-14-7-16-13-8-17(28)18(33-2)6-11(13)4-5-26(16)23(32)15(14)10-34-24(12)36-25-22(31)21(30)20(29)19(9-27)35-25/h3,6,8,10,12,14,16,19-22,24-25,27-31H,1,4-5,7,9H2,2H3/t12-,14+,16-,19-,20-,21+,22-,24?,25+/m1/s1
InChIKey: BCYNGTTVQNJTCV-ICGHPWGDSA-N
Reference
Tetrahydroisoquinoline-monoterpene glucosides from Alangium lamarckii and Cephaelis ipecacuanha
PubChem CID: 44143717
LOTUS: LTS0243028
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alangium kurzii | Alangium | Cornaceae | Cornales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 505.5200000000004
TPSA？: 158.38
MolLogP？: -0.2945999999999997
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 5