[(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{[(19S)-19-(acetyloxy)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-8-yl]oxy}oxan-2-yl]methyl acetate
AlkaPlorer ID: AK075584
Synonym: None
IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(19S)-19-acetyloxy-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-8-yl]oxy]oxan-2-yl]methyl acetate
Structure
SMILES: CC[C@@]1(OC(C)=O)C(=O)OCC2=C1C=C1C3=NC4=CC=CC(O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)=C4C=C3CN1C2=O
InChI: InChI=1S/C36H36N2O15/c1-7-36(53-20(6)43)24-12-26-29-21(13-38(26)33(44)23(24)14-47-35(36)45)11-22-25(37-29)9-8-10-27(22)51-34-32(50-19(5)42)31(49-18(4)41)30(48-17(3)40)28(52-34)15-46-16(2)39/h8-12,28,30-32,34H,7,13-15H2,1-6H3/t28-,30-,31+,32-,34-,36+/m1/s1
InChIKey: PTFWVXMQJAPDPA-UPCIXNIPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ophiorrhiza pumila | Ophiorrhiza | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 736.6830000000001
TPSA？: 211.15
MolLogP？: 2.112299999999999
Number of H-Donors: 0
Number of H-Acceptors: 17
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|