2,27-Diamino-3,26,28-trihydroxy-11-octacosanone; (2S,3S,26R,27S)-form, 28-O-β-D-Glucopyranoside
AlkaPlorer ID: AK295382
Synonym: Calyxoside
IUPAC Name: 2,27-diamino-3,26-dihydroxy-28-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctacosan-11-one
Structure
SMILES: CC(N)C(O)CCCCCCCC(=O)CCCCCCCCCCCCCCC(O)C(N)COC1OC(CO)C(O)C(O)C1O
InChI: InChI=1S/C34H68N2O9/c1-25(35)28(39)21-17-14-10-12-16-20-26(38)19-15-11-8-6-4-2-3-5-7-9-13-18-22-29(40)27(36)24-44-34-33(43)32(42)31(41)30(23-37)45-34/h25,27-34,37,39-43H,2-24,35-36H2,1H3
InChIKey: DVBWWNHCQFZFCN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Calyx | Phloeodictyidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 648.9230000000007
TPSA？: 208.95
MolLogP？: 2.960400000000003
Number of H-Donors: 8
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|