Glycoside
GD152199
Name:
GoodyerinFormula:
C36H40O19Smiles:
COc1cc(Cc2c(O)cc(O)c3c(=O)c(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)c(-c4ccc(O)c(O)c4)oc23)cc(OC)c1OAglycone:
COc1cc(Cc2c(O)cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)cc(OC)c1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.42 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 10 |
| MolWt: | 776.7 | Num_heavy_atoms: | 55 |
| TPSA: | 308.12 | NumAromaticRings: | 4 |
Unique Aglycone
AD60622
Formula: C24H20O10
Smiles:
COc1cc(Cc2c(O)cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)cc(OC)c1O| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.12 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.41 | Num_heavy_atoms: | 34 |
| TPSA: | 170.05 | NumAromaticRings: | 4 |
