Glycoside
GD033095
Name:
NoneFormula:
C27H40O12Smiles:
COC1=C[C@H](C)[C@@H]2C[C@@H]3O[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C[C@H]4[C@]3(C)[C@H]([C@@H](O)C(=O)[C@]4(C)O)[C@@]2(C)C1=OAglycone:
COC1=CC(C)C2CC3OC(O)CC4C(C)(O)C(=O)C(O)C(C2(C)C1=O)C34CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 556.61 | Num_heavy_atoms: | 39 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD21149
Formula: C21H30O7
Smiles:
COC1=CC(C)C2CC3OC(O)CC4C(C)(O)C(=O)C(O)C(C2(C)C1=O)C34C| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 394.46 | Num_heavy_atoms: | 28 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
