Glycoside
GD154549
Name:
11'-(furan-3-yl)-4-hydroxy-2',10'-dimethyl-5'-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-12',15'-dioxaspiro[oxane-3,6'-tetracyclo[8.5.0.0¹,¹â´.0²,â·]pentadecane]-3',6,13'-trioneFormula:
C32H42O14Smiles:
CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CC(=O)C2(C)C(CCC3(C)C(c4ccoc4)OC(=O)C4OC432)C12COC(=O)CC2OAglycone:
CC(C)(O)C1CC(=O)C2(C)C(CCC3(C)C(c4ccoc4)OC(=O)C4OC432)C12COC(=O)CC2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 650.67 | Num_heavy_atoms: | 46 |
| TPSA: | 214.95 | NumAromaticRings: | 1 |
Unique Aglycone
AD54795
Formula: C26H32O9
Smiles:
CC(C)(O)C1CC(=O)C2(C)C(CCC3(C)C(c4ccoc4)OC(=O)C4OC432)C12COC(=O)CC2O| HBA: | 9 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 488.53 | Num_heavy_atoms: | 35 |
| TPSA: | 135.8 | NumAromaticRings: | 1 |
