Glycoside
GD008527
Name:
NoneFormula:
C20H28O10Smiles:
COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCC(=O)OC(C)(C)C)[C@H]2O)cc1Aglycone:
CC(C)(C)OC(=O)CO.COC(=O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 428.43 | Num_heavy_atoms: | 30 |
| TPSA: | 140.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD06804
Formula: C6H12O3
Smiles:
CC(C)(C)OC(=O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
