19-ethenyl-16-hydroxy-18-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0?,?.0¹?,²?]henicosa-2(11),4,6,8,15-pentaene-10,14-dione
AlkaPlorer ID: AK056520
Synonym: None
IUPAC Name: (1S,18R,19R,20S)-19-ethenyl-16-hydroxy-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-2(11),4,6,8,15-pentaene-10,14-dione
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(O)=C2C(=O)N3CC4=C(NC5=CC=CC=C5C4=O)[C@@H]3C[C@H]21
InChI: InChI=1S/C26H28N2O10/c1-2-10-12-7-15-18-13(19(30)11-5-3-4-6-14(11)27-18)8-28(15)23(34)17(12)24(35)37-25(10)38-26-22(33)21(32)20(31)16(9-29)36-26/h2-6,10,12,15-16,20-22,25-26,29,31-33,35H,1,7-9H2,(H,27,30)/t10-,12+,15+,16-,20-,21+,22-,25+,26+/m1/s1
InChIKey: GVRKDOXEAXVZGI-PUJBYMOASA-N
Source
Properties Information
Molecule Weight: 528.5140000000002
TPSA？: 182.01
MolLogP？: -0.3240999999999991
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Activity | None | None | 10.1021/np010042g |