Glycoside
GD032972
Name:
Praeroside IvFormula:
C20H24O9Smiles:
CC1(C)Oc2ccc3ccc(=O)oc3c2C[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)Oc2ccc3ccc(=O)oc3c2CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 408.4 | Num_heavy_atoms: | 29 |
| TPSA: | 138.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD21081
Formula: C14H14O4
Smiles:
CC1(C)Oc2ccc3ccc(=O)oc3c2CC1O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 246.26 | Num_heavy_atoms: | 18 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
