Glycoside
GD034893
Name:
NoneFormula:
C30H42O9Smiles:
CC(=O)CCC(C[C@@H]1C(=O)CC[C@H]1C)C(C)(C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OC(=O)C=Cc1ccccc1Aglycone:
CC(=O)CCC(CC1C(=O)CCC1C)C(C)(C)O.O=C(O)C=Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.63 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 12 |
| MolWt: | 546.66 | Num_heavy_atoms: | 39 |
| TPSA: | 139.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD22125
Formula: C15H26O3
Smiles:
CC(=O)CCC(CC1C(=O)CCC1C)C(C)(C)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 254.37 | Num_heavy_atoms: | 18 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
