19-ethenyl-7,18-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]henicosa-2(10),4,6,8,15-pentaen-14-one
AlkaPlorer ID: AK392492
Synonym: None
IUPAC Name: (1R,18S,19R,20S)-19-ethenyl-7,18-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15-pentaen-14-one
Structure
SMILES: C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CCC4=C(NC5=CC=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C=C45)[C@H]3C[C@H]21
InChI: InChI=1S/C32H40N2O14/c1-2-13-15-8-19-22-14(16-7-12(3-4-18(16)33-22)45-31-27(41)25(39)23(37)20(9-35)46-31)5-6-34(19)29(43)17(15)11-44-30(13)48-32-28(42)26(40)24(38)21(10-36)47-32/h2-4,7,11,13,15,19-21,23-28,30-33,35-42H,1,5-6,8-10H2/t13-,15+,19-,20-,21-,23-,24-,25+,26+,27-,28-,30+,31-,32+/m1/s1
InChIKey: GSQQNRFSMXHOOX-RYPRAARKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Adina eurhyncha | Adina | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 676.6720000000005
TPSA？: 244.08999999999995
MolLogP？: -2.348799999999996
Number of H-Donors: 9
Number of H-Acceptors: 14
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|