Glycoside
GD140812
Name:
6-methoxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-18-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane-14,16,17-triolFormula:
C40H68O17Smiles:
COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5(OC6OC(CO)C(O)C(O)C6O)C(O)C(O)CC(O)C5(C)C4CCC3(C)C2C1CAglycone:
COC1(CCC(C)CO)OC2CC3C4CCC5(O)C(O)C(O)CC(O)C5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 11 |
| MolWt: | 820.97 | Num_heavy_atoms: | 57 |
| TPSA: | 277.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD56772
Formula: C28H48O7
Smiles:
COC1(CCC(C)CO)OC2CC3C4CCC5(O)C(O)C(O)CC(O)C5(C)C4CCC3(C)C2C1C| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 496.69 | Num_heavy_atoms: | 35 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
