methyl 13-oxo-17-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-14,18-dioxa-3,23-diazahexacyclo[13.7.2.0²,¹?.0?,?.0¹²,²³.0¹?,²¹]tetracosa-2(10),4,6,8,19-pentaene-20-carboxylate
AlkaPlorer ID: AK349279
Synonym: None
IUPAC Name: methyl (1S,12S,15S,16S,17S,21S)-13-oxo-17-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14,18-dioxa-3,23-diazahexacyclo[13.7.2.02,10.04,9.012,23.016,21]tetracosa-2(10),4,6,8,19-pentaene-20-carboxylate
Structure
SMILES: COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C[C@H]1C3=C(C[C@H]4C(=O)O[C@@H]2CN41)C1=CC=CC=C1N3
InChI: InChI=1S/C28H32N2O11/c1-37-25(35)14-10-38-27(41-28-24(34)23(33)22(32)19(9-31)40-28)20-12(14)6-16-21-13(11-4-2-3-5-15(11)29-21)7-17-26(36)39-18(20)8-30(16)17/h2-5,10,12,16-20,22-24,27-29,31-34H,6-9H2,1H3/t12-,16+,17+,18-,19-,20+,22-,23+,24-,27+,28+/m1/s1
InChIKey: BWFRUHLJKZUWMA-FXEHLFFVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Adina eurhyncha | Adina | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 572.5670000000003
TPSA？: 180.24
MolLogP？: -0.773099999999997
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|