Glycoside
GD006385
Name:
NoneFormula:
C30H42O7Smiles:
C[C@@H]1CC[C@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2OC(=O)C=Cc2ccccc2)CC2=C1CC[C@H]2CAglycone:
CC1CCC(C(C)(C)O)CC2=C1CCC2C.O=C(O)C=Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.63 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 514.66 | Num_heavy_atoms: | 37 |
| TPSA: | 105.45 | 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 |
AD05290
Formula: C15H26O
Smiles:
CC1CCC(C(C)(C)O)CC2=C1CCC2C| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 222.37 | Num_heavy_atoms: | 16 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
