Thelenotoside B
[1-[16-[3-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-6-yl]-4-methylpentan-2-yl] acetate
Also Known As: Thelenotoside B|TP2443|[1-[16-[3-[5-[4-[3,5-Dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-6-yl]-4-methylpentan-2-yl] acetate|Protohemin mono-3-(imidazol-1-yl)propylamide monomethyl ester|Lanost-7-en-18-oic acid, 23-(acetyloxy)-20-hydroxy-3-((O-3-O-methyl-beta-D-glucopyranosyl-(1-3)-O-beta-D-xylopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-2)-beta-D-xylopyranosyl)oxy)-, gamma-lactone, (3beta,23S)-
| Molecular Formula | C55H88O23 |
|---|---|
| Molecular Weight | 1116.5717 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 338.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 17 |
| Exact Mass | 1116.5717 |
| Monoisotopic Mass | 1116.5717 |
| Heavy Atoms | 78 |
| Complexity | 2150.0 |
Chemical Identifiers
| CAS Number | 72175-95-2 |
|---|---|
| SMILES | CC(C)CC(CC1(C2CCC3(C2(CCC4C3=CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)CO)OC8C(C(C(CO8)O)OC9C(C(C(C(O9)CO)O)OC)O)O)O)O)C)C(=O)O1)C)C)OC(=O)C |
| InChIKey | RBADDKIIVLROHL-UHFFFAOYSA-N |
Product Overview
Thelenotoside B (CAS 72175-95-2), with molecular formula C55H88O23 and molecular weight 1116.5717 g/mol. IUPAC: [1-[16-[3-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-6-yl]-4-methylpentan-2-yl] acetate.