Glycoside
GD037289
Name:
NoneFormula:
C30H30O10Smiles:
COc1ccc(C=Cc2cc(O)cc(O[C@@H]3O[C@H](COC(=O)C=Cc4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]3O)c2)cc1Aglycone:
COC(=O)C=Cc1ccc(O)cc1.COc1ccc(C=Cc2cc(O)cc(O)c2)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 9 |
| MolWt: | 550.56 | Num_heavy_atoms: | 40 |
| TPSA: | 155.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD02004
Formula: C15H14O3
Smiles:
COc1ccc(C=Cc2cc(O)cc(O)c2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.27 | Num_heavy_atoms: | 18 |
| TPSA: | 49.69 | NumAromaticRings: | 2 |
