3-Hydroxy-24-methylenelanost-8-en-30-oic acid; 3β-form, 3-O-[2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-β-D-glucuronopyranoside]
AlkaPlorer ID: AK301496
Synonym: Eryloside W
IUPAC Name: 5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[14-carboxy-4,4,10,13-tetramethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4-dihydroxyoxane-2-carboxylic acid
Structure
SMILES: C=C(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(OC2OC(C(=O)O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2N=C(C)O)C(C)(C)C1CC3)C(C)C
InChI: InChI=1S/C45H71NO14/c1-21(2)22(3)10-11-23(4)25-15-19-45(41(55)56)27-12-13-29-42(6,7)30(16-17-43(29,8)26(27)14-18-44(25,45)9)58-40-37(35(52)34(51)36(59-40)38(53)54)60-39-31(46-24(5)48)33(50)32(49)28(20-47)57-39/h21,23,25,28-37,39-40,47,49-52H,3,10-20H2,1-2,4-9H3,(H,46,48)(H,53,54)(H,55,56)
InChIKey: CJRHQSVFLRQTFX-UHFFFAOYSA-N
Reference
Eryloside W, a triterpenoid saponin from the sponge Dictyonella marsilii
PubChem CID: 163066228
LOTUS: LTS0244039
COCONUT: CNP0357720.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dictyonella marsilii | Dictyonella | Dictyonellidae | Bubarida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 850.056
TPSA？: 245.26
MolLogP？: 4.514600000000005
Number of H-Donors: 8
Number of H-Acceptors: 12
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|