Glycoside
GD006229
Name:
Durantoside IFormula:
C26H32O13Smiles:
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@@]1(O)C[C@H](OC(=O)C=Cc1ccccc1)[C@]2(C)OAglycone:
COC(=O)C1=COC(O)C2C1(O)CC(OC(=O)C=Cc1ccccc1)C2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 552.53 | Num_heavy_atoms: | 39 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD03027
Formula: C20H22O8
Smiles:
COC(=O)C1=COC(O)C2C1(O)CC(OC(=O)C=Cc1ccccc1)C2(C)O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.39 | Num_heavy_atoms: | 28 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
