Glycoside
GD034630
Name:
NoneFormula:
C24H32O11Smiles:
C[C@]1(OC(=O)C=Cc2ccccc2)C[C@H](O)[C@]2(O)CCO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]12Aglycone:
CC1(OC(=O)C=Cc2ccccc2)CC(O)C2(O)CCOC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.51 | Num_heavy_atoms: | 35 |
| TPSA: | 175.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD21990
Formula: C18H22O6
Smiles:
CC1(OC(=O)C=Cc2ccccc2)CC(O)C2(O)CCOC(O)C12| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 334.37 | Num_heavy_atoms: | 24 |
| TPSA: | 96.22 | NumAromaticRings: | 1 |
