Glycoside
GD026694
Name:
POUOSIDE HFormula:
C38H60O12Smiles:
CC(=O)O[C@@]1(C)CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]1CCC(C)=CC[C@H](O)C=C(C)C(=O)C[C@@H]1C(C)(C)C(=O)C=C[C@]1(C)OAglycone:
CC(=O)OC1(C)CCC(O)C(C)(C)C1CCC(C)=CCC(O)C=C(C)C(=O)CC1C(C)(O)C=CC(=O)C1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 13 |
| MolWt: | 708.89 | Num_heavy_atoms: | 50 |
| TPSA: | 200.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD17586
Formula: C32H50O7
Smiles:
CC(=O)OC1(C)CCC(O)C(C)(C)C1CCC(C)=CCC(O)C=C(C)C(=O)CC1C(C)(O)C=CC(=O)C1(C)C| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.72 |
| AlogP: | 5.02 | Num_rotatable_bonds: | 10 |
| MolWt: | 546.75 | Num_heavy_atoms: | 39 |
| TPSA: | 121.13 | NumAromaticRings: | 0 |
