Glycoside
GD028907
Name:
NoneFormula:
C27H34O12Smiles:
COc1ccc(C(O)C2COC(=O)C2Cc2ccc(OC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OCAglycone:
COc1cc(CC2C(=O)OCC2C(O)c2ccc(OC)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 10 |
| MolWt: | 550.56 | Num_heavy_atoms: | 39 |
| TPSA: | 173.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD18845
Formula: C21H24O7
Smiles:
COc1cc(CC2C(=O)OCC2C(O)c2ccc(OC)c(OC)c2)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 388.42 | Num_heavy_atoms: | 28 |
| TPSA: | 94.45 | NumAromaticRings: | 2 |
