Glycoside
GD037110
Name:
NoneFormula:
C26H40O9Smiles:
CC1=CC2=C(C[C@H](C)C2=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](C)C[C@@H]2[C@H](C[C@H]1O)[C@@]2(C)COAglycone:
CC1=CC2=C(CC(C)C2=O)C(O)C(C)CC2C(CC1O)C2(C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 496.6 | Num_heavy_atoms: | 35 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD21905
Formula: C20H30O4
Smiles:
CC1=CC2=C(CC(C)C2=O)C(O)C(C)CC2C(CC1O)C2(C)CO| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.46 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
