Glycoside
GD030529
Name:
MUDANPIOSIDE DFormula:
C24H30O12Smiles:
COc1ccc(C(=O)OC[C@@]23[C@@H]4C[C@]2(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@]2(C)C[C@]4(O)O[C@H]3O2)cc1Aglycone:
COc1ccc(C(=O)OCC23C4OC5(O)CC(C)(O4)C2(O)CC53)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 510.49 | Num_heavy_atoms: | 36 |
| TPSA: | 173.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD13696
Formula: C18H20O7
Smiles:
COc1ccc(C(=O)OCC23C4OC5(O)CC(C)(O4)C2(O)CC53)cc1| HBA: | 7 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.61 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.35 | Num_heavy_atoms: | 25 |
| TPSA: | 94.45 | NumAromaticRings: | 1 |
