Glycoside
GD152026
Name:
NoneFormula:
C39H50O18Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2CC(C)C(O)C(O)C2OC2OCC(O)C(O)C2O)cc1Aglycone:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2OC2CC(C)C(O)C(O)C2O)cc1Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 11 |
| MolWt: | 806.81 | Num_heavy_atoms: | 57 |
| TPSA: | 287.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD54409
Formula: C28H32O9
Smiles:
COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2OC2CC(C)C(O)C(O)C2O)cc1| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 512.56 | Num_heavy_atoms: | 37 |
| TPSA: | 149.82 | NumAromaticRings: | 3 |
