N-[(10S)-3,4,14-trimethoxy-13-oxo-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[9.5.0.0²,⁷]hexadeca-1(16),2,4,6,11,14-hexaen-10-yl]acetamide
AlkaPlorer ID: AK319186
Synonym: None
IUPAC Name: N-[1,2,10-trimethoxy-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Structure
SMILES: COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2CCC(N=C(C)O)C3=CC(=O)C(OC)=CC=C3C2=C1OC
InChI: InChI=1S/C27H33NO11/c1-12(30)28-16-7-5-13-9-19(38-27-24(34)23(33)22(32)20(11-29)39-27)25(36-3)26(37-4)21(13)14-6-8-18(35-2)17(31)10-15(14)16/h6,8-10,16,20,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)/t16?,20-,22-,23+,24-,27-/m1/s1
InChIKey: UXAFRQPVHYZDED-HMZBFJTNSA-N
Source
Properties Information
Molecule Weight: 547.5570000000004
TPSA？: 176.73
MolLogP？: 0.8820000000000003
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|