Glycoside
GD130130
Name:
DavisiosideFormula:
C22H28O10Smiles:
O=C(OCC1=CC(O)C2CCOC(OC3OC(CO)C(O)C(O)C3O)C12)c1ccccc1Aglycone:
O=C(OCC1=CC(O)C2CCOC(O)C12)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 452.46 | Num_heavy_atoms: | 32 |
| TPSA: | 155.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD52726
Formula: C16H18O5
Smiles:
O=C(OCC1=CC(O)C2CCOC(O)C12)c1ccccc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 290.31 | Num_heavy_atoms: | 21 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
