Glycoside
GD150541
Name:
2-{[14-hydroxy-6-methoxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan-16-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C40H68O15Smiles:
COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6O)CC(O)C5(C)C4CCC3(C)C2C1CAglycone:
COC1(CCC(C)CO)OC2CC3C4CCC5CC(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: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 11 |
| MolWt: | 788.97 | Num_heavy_atoms: | 55 |
| TPSA: | 237.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD60121
Formula: C28H48O5
Smiles:
COC1(CCC(C)CO)OC2CC3C4CCC5CC(O)CC(O)C5(C)C4CCC3(C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 464.69 | Num_heavy_atoms: | 33 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
