Glycoside
GD000289
Name:
NoneFormula:
C34H50O20Smiles:
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](C)O[C@H](O[C@@H]3[C@H](O[C@@H]4OC=C(C(=O)OC)[C@@H]5C[C@H](O)[C@H](C)[C@H]45)O[C@H](CO)[C@H](O)[C@H]3O)C[C@H]12Aglycone:
COC(=O)C1=COC(O)C2C(C)OC(O)CC12.COC(=O)C1=COC(O)C2C1CC(O)C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.82 |
| AlogP: | -3.53 | Num_rotatable_bonds: | 10 |
| MolWt: | 778.75 | Num_heavy_atoms: | 54 |
| TPSA: | 288.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD00332
Formula: C11H16O6
Smiles:
COC(=O)C1=COC(O)C2C(C)OC(O)CC12| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 244.24 | Num_heavy_atoms: | 17 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
AD00333
Formula: C11H16O5
Smiles:
COC(=O)C1=COC(O)C2C1CC(O)C2C| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 228.24 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
