Glycoside
GD000024
Name:
SCHISMOSIDEFormula:
C17H26O12Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1[C@H](O)[C@H](O)[C@]2(C)OAglycone:
COC(=O)C1=COC(O)C2C1C(O)C(O)C2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -4.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 422.38 | Num_heavy_atoms: | 29 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD00032
Formula: C11H16O7
Smiles:
COC(=O)C1=COC(O)C2C1C(O)C(O)C2(C)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 260.24 | Num_heavy_atoms: | 18 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
