Glycoside
GD115731
Name:
6-({12-carboxy-24-[2-(4-ethyl-1H-pyrrol-3-yl)ethyl]-11-(methoxymethyl)-9,16,20,20-tetramethylheptacyclo[13.9.3.1âµ,â¹.0¹,¹â¶.0â´,¹âµ.0âµ,¹².0¹â¹,²â´]octacosa-3,6,25-trien-21-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C49H69O10NSmiles:
CCc1c[nH]cc1CCC12CCC(OC3OC(C(=O)O)C(O)C(O)C3O)C(C)(C)C1CCC1(C)C34CC=CC21CC=C3C12C=CCC(C)(CC(COC)C1(C(=O)O)CC4)C2Aglycone:
CCc1c[nH]cc1CCC12CCC(O)C(C)(C)C1CCC1(C)C34CC=CC21CC=C3C12C=CCC(C)(CC(COC)C1(C(=O)O)CC4)C2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | 7.15 | Num_rotatable_bonds: | 10 |
| MolWt: | 832.09 | Num_heavy_atoms: | 60 |
| TPSA: | 178.77 | NumAromaticRings: | 1 |
Unique Aglycone
AD45839
Formula: C43H61O4N
Smiles:
CCc1c[nH]cc1CCC12CCC(O)C(C)(C)C1CCC1(C)C34CC=CC21CC=C3C12C=CCC(C)(CC(COC)C1(C(=O)O)CC4)C2| HBA: | 5 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 9.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 655.96 | Num_heavy_atoms: | 48 |
| TPSA: | 82.55 | NumAromaticRings: | 1 |
