Glycoside
GD032759
Name:
ALPINDENOSIDE CFormula:
C32H50O14Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@@H]5C[C@H](C6=CCOC6=O)OC(O)[C@H]5CC[C@H]4C3(C)C)O[C@@H](CO)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)C(O)CCC2(C)C3CC(C4=CCOC4=O)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
AD10291
Formula: C20H30O5
Smiles:
CC1(C)C(O)CCC2(C)C3CC(C4=CCOC4=O)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 |
