Glycoside
GD078793
Name:
NoneFormula:
C21H30O7Smiles:
CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2[C@@H](O)[C@H](O)[C@H](O)COAglycone:
CC1(C)CC(=O)C2=C(C1)OC1=C(C2)C(=O)CC(C)(C)C1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 394.46 | Num_heavy_atoms: | 28 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD36211
Formula: C17H22O3
Smiles:
CC1(C)CC(=O)C2=C(C1)OC1=C(C2)C(=O)CC(C)(C)C1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.65 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 0 |
| MolWt: | 274.36 | Num_heavy_atoms: | 20 |
| TPSA: | 43.37 | NumAromaticRings: | 0 |
