19-ethenyl-16-hydroxy-18-{[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: AK325480
Synonym: None
IUPAC Name: (1R,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[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-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(O)=C2C(=O)N3CCC4=C(NC5=CC=CC=C45)[C@H]3C[C@H]21
InChI: InChI=1S/C26H30N2O9/c1-2-11-14-9-16-19-13(12-5-3-4-6-15(12)27-19)7-8-28(16)23(33)18(14)24(34)36-25(11)37-26-22(32)21(31)20(30)17(10-29)35-26/h2-6,11,14,16-17,20-22,25-27,29-32,34H,1,7-10H2/t11-,14+,16-,17-,20-,21+,22-,25+,26+/m1/s1
InChIKey: OEZCKGRJVNYSLG-RSNGGLKUSA-N
Source
Properties Information
Molecule Weight: 514.5310000000004
TPSA？: 164.94
MolLogP？: 0.3582000000000005
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Activity | None | None | 10.1021/np010042g |