Clarhamnoside
AlkaPlorer ID: AK292619
Synonym: None
IUPAC Name: N-[1-[3-[6-[[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxynonadecan-2-yl]-2-hydroxytricosanamide
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1OC1OC(COC2OC(CO)C(O)C(OC3OC(C)C(O)C(O)C3O)C2NC(C)=O)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCCC
InChI: InChI=1S/C68H128N2O24/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-47(75)64(86)70-45(53(77)46(74)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)41-87-68-63(59(83)54(78)48(39-71)91-68)94-67-61(85)58(82)55(79)50(92-67)42-88-65-51(69-44(4)73)62(56(80)49(40-72)90-65)93-66-60(84)57(81)52(76)43(3)89-66/h43,45-63,65-68,71-72,74-85H,5-42H2,1-4H3,(H,69,73)(H,70,86)
InChIKey: HTYCLYQRXOUDKA-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas clathrodes | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1357.7620000000013
TPSA？: 415.26
MolLogP？: 3.317600000000009
Number of H-Donors: 16
Number of H-Acceptors: 24
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|