Glycoside
GD014060
Name:
NoneFormula:
C28H30O11Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2cc(C)cc(OC(C)=O)c2C(=O)CCc2ccc3occc3c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(=O)Oc1cc(C)cc(O)c1C(=O)CCc1ccc2occc2c1.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 542.54 | Num_heavy_atoms: | 39 |
| TPSA: | 161.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD02583
Formula: C20H18O5
Smiles:
CC(=O)Oc1cc(C)cc(O)c1C(=O)CCc1ccc2occc2c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 338.36 | Num_heavy_atoms: | 25 |
| TPSA: | 76.74 | NumAromaticRings: | 3 |
