Glycoside
GD029971
Name:
NoneFormula:
C25H28O7Smiles:
CC(C)Oc1ccc2c3c(oc2c1)C(C)(C)c1cc(OC[C@H](O)[C@H](O)CO)ccc1C3=OAglycone:
CC(C)Oc1ccc2c3c(oc2c1)C(C)(C)c1ccccc1C3=OSugarmoiety:
OCC(O)C(O)COOOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 440.49 | Num_heavy_atoms: | 32 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD19436
Formula: C21H20O3
Smiles:
CC(C)Oc1ccc2c3c(oc2c1)C(C)(C)c1ccccc1C3=O| HBA: | 3 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 5.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 320.39 | Num_heavy_atoms: | 24 |
| TPSA: | 39.44 | NumAromaticRings: | 3 |
