Glycoside
GD030306
Name:
NoneFormula:
C32H34O19Smiles:
CC(=O)OC[C@@H]1O[C@H](O)[C@H](OC(=O)c2ccccc2C(=O)O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](O)[C@H](OC(=O)c2ccccc2C(=O)O)[C@H]1OAglycone:
COC(C)=O.COC(C)=O.O=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)OSugarmoiety:
OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 12 |
| MolWt: | 722.61 | Num_heavy_atoms: | 51 |
| TPSA: | 288.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD19612
Formula: C8H6O4
Smiles:
O=C(O)c1ccccc1C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.13 | Num_heavy_atoms: | 12 |
| TPSA: | 74.6 | NumAromaticRings: | 1 |
