Glycoside
GD010218
Name:
NoneFormula:
C32H30O7Smiles:
O=Cc1ccc(O[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
COC(c1ccccc1)(c1ccccc1)c1ccccc1.O=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 526.59 | Num_heavy_atoms: | 39 |
| TPSA: | 105.45 | NumAromaticRings: | 4 |
Unique Aglycone
AD01054
Formula: C20H18O
Smiles:
COC(c1ccccc1)(c1ccccc1)c1ccccc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.36 | Num_heavy_atoms: | 21 |
| TPSA: | 9.23 | NumAromaticRings: | 3 |
AD01669
Formula: C7H6O2
Smiles:
O=Cc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
