Glycoside
GD030943
Name:
NoneFormula:
C28H28O11Smiles:
COc1ccc(C=Cc2cc(O)cc(O[C@@H]3O[C@H](COC(=O)c4ccc(O)cc4)[C@H](O)[C@H](O)[C@H]3O)c2)cc1OAglycone:
COC(=O)c1ccc(O)cc1.COc1ccc(C=Cc2cc(O)cc(O)c2)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.25 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 540.52 | Num_heavy_atoms: | 39 |
| TPSA: | 175.37 | NumAromaticRings: | 3 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD11932
Formula: C15H14O4
Smiles:
COc1ccc(C=Cc2cc(O)cc(O)c2)cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 258.27 | Num_heavy_atoms: | 19 |
| TPSA: | 69.92 | NumAromaticRings: | 2 |
