N-[2-[5-[3-acetamido-6-[[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-[[4,4,10,13-tetramethyl-17-(6-methyl-4-oxohept-5-en-2-yl)-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Basic information
- CAS
114066-50-1- Standard SMILES
CC(=O)NC1C(OC2COC(OC3CCC4(C)C5=C(CCC4C3(C)C)C3CCC(C(C)CC(=O)C=C(C)C)C3(C)CC5)C(OC3OC(COC4OCC(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3NC(C)=O)C2O)OC(CO)C(O)C1O- InChIKey
RLZMJVGFNSVJOP-UHFFFAOYSA-N- Molecular formula
- C61H98N2O25
- Average molar mass
- 1,259.4 g/mol
- Monoisotopic mass
- 1,258.64586662
Names & identifiers
- Preferred name
- N-[2-[5-[3-acetamido-6-[[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-[[4,4,10,13-tetramethyl-17-(6-methyl-4-oxohept-5-en-2-yl)-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
- IUPAC
- N-[2-[5-[3-acetamido-6-[[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-[[4,4,10,13-tetramethyl-17-(6-methyl-4-oxohept-5-en-2-yl)-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
- English name
- sarasinoside B1
- Molecular formula
- C61H98N2O25
- Molecular weight
- 1259.43
Names & synonyms
N-[2-[5-[3-acetamido-6-[[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-[[4,4,10,13-tetramethyl-17-(6-methyl-4-oxohept-5-en-2-yl)-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideorb1983661TP2438Cholesta-8,24-dien-23-one, 3-((O-2- (acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1-4)-O-(O-beta-D-glucopyranosyl-(1-2)-O-beta-D-xylopyranosyl-(1-6)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-2))-beta-D-xylopyranosyl)oxy)-4,4-dimethyl-, (3beta,5alpha)-sarasinoside B1Cholesta-8,24-dien-23-one, 3-[[O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1→4)-O-[O-β-D-glucopyranosyl-(1→2)-O-β-D-xylopyranosyl-(1→6)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)]-β-D-xylopyranosyl]oxy]-4,4-dimethyl-, (3β,5α)-
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 410 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 25
- Rotatable bonds
- 19
- Heavy atoms
- 88
- Formal charge
- 0
- Complexity
- 2,490
Chemistry & industry
Applications
DescriptionSarasinoside B1 is a norlanostane-triterpenoid oligoglycoside from the Palauan marine sponge Asteropus sarasinosum.
UsesSarasinoside B1 is a glycoside compound. Sarasinoside B1 exhibits moderate cytotoxicity against Neuro-2a and HepG2 cell lines (IC50=~5-18 μM).
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