Glycoside
GD036451
Name:
NoneFormula:
C25H28O9Smiles:
CC1(C)c2cc(OC[C@H](O)[C@H](O)CO)ccc2C(=O)c2c1oc1cc(OC[C@H](O)CO)ccc21Aglycone:
CC1(C)c2ccccc2C(=O)c2c1oc1cc(OCC(O)CO)ccc21Sugarmoiety:
OCC(O)C(O)COOOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 472.49 | Num_heavy_atoms: | 34 |
| TPSA: | 149.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD22983
Formula: C21H20O5
Smiles:
CC1(C)c2ccccc2C(=O)c2c1oc1cc(OCC(O)CO)ccc21| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 352.39 | Num_heavy_atoms: | 26 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
