Glycoside
GD034971
Name:
NoneFormula:
C24H28O12Smiles:
O=C(C=Cc1ccccc1)OC[C@@H]1O[C@H](O[C@@H]2OC=C[C@]3(O)[C@H]2[C@]2(CO)O[C@H]2[C@H]3O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)C=Cc1ccccc1.OCC12OC1C(O)C1(O)C=COC(O)C12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 508.48 | Num_heavy_atoms: | 36 |
| TPSA: | 187.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD22165
Formula: C9H12O6
Smiles:
OCC12OC1C(O)C1(O)C=COC(O)C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 216.19 | Num_heavy_atoms: | 15 |
| TPSA: | 102.68 | NumAromaticRings: | 0 |
