Glycoside
GD027513
Name:
NoneFormula:
C17H24O12Smiles:
C[C@]1(O)C[C@H](OC=O)[C@@H]2C(C(=O)O)=CO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]21Aglycone:
CC1(O)CC(OC=O)C2C(C(=O)O)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | -2.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 420.37 | Num_heavy_atoms: | 29 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD18079
Formula: C11H14O7
Smiles:
CC1(O)CC(OC=O)C2C(C(=O)O)=COC(O)C21| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 258.23 | Num_heavy_atoms: | 18 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
