Glycoside
GD136677
Name:
Alpindenoside CFormula:
C32H50O14Smiles:
CC1OC(OC2C(OC3CCC4(C)C5CC(C6=CC(=O)OC6)OC(O)C5CCC4C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(C)C(O)CCC2(C)C3CC(C4=CC(=O)OC4)OC(O)C3CCC12Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 658.74 | Num_heavy_atoms: | 46 |
| TPSA: | 214.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD52874
Formula: C20H30O5
Smiles:
CC1(C)C(O)CCC2(C)C3CC(C4=CC(=O)OC4)OC(O)C3CCC12| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 350.46 | Num_heavy_atoms: | 25 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
