Glycoside
GD125907
Name:
WulfenosideFormula:
C40H48O20Smiles:
O=C(C=Cc1ccccc1)OCC12OC1C(O)C1C=COC(OC3OC(COC(=O)C4=COC(OC5OC(CO)C(O)C(O)C5O)C5=C(CO)CCC45)C(O)C(O)C3O)C12Aglycone:
COC(=O)C1=COC(O)C2=C(CO)CCC12.O=C(C=Cc1ccccc1)OCC12OC1C(O)C1C=COC(O)C12Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.6 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 13 |
| MolWt: | 848.8 | Num_heavy_atoms: | 60 |
| TPSA: | 302.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD02680
Formula: C18H18O6
Smiles:
O=C(C=Cc1ccccc1)OCC12OC1C(O)C1C=COC(O)C12| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.34 | Num_heavy_atoms: | 24 |
| TPSA: | 88.52 | NumAromaticRings: | 1 |
AD50919
Formula: C11H14O5
Smiles:
COC(=O)C1=COC(O)C2=C(CO)CCC12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 226.23 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
