Glycoside
GD031012
Name:
NoneFormula:
C28H34O9Smiles:
CCc1cc(O[C@@H]2O[C@H](COC)[C@H](OC)[C@H](OC)[C@H]2OC)c2c(c1)C(=O)c1cc(C)cc(OC)c1C2=OAglycone:
CCc1cc(O)c2c(c1)C(=O)c1cc(C)cc(OC)c1C2=OSugarmoiety:
COCC1OC(O)C(OC)C(OC)C1OCOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 514.57 | Num_heavy_atoms: | 37 |
| TPSA: | 98.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD20030
Formula: C18H16O4
Smiles:
CCc1cc(O)c2c(c1)C(=O)c1cc(C)cc(OC)c1C2=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 296.32 | Num_heavy_atoms: | 22 |
| TPSA: | 63.6 | NumAromaticRings: | 2 |
