Glycoside
GD027587
Name:
NoneFormula:
C27H42O10SSmiles:
CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@@]4(C)C3=CC[C@]12CAglycone:
CC(=O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 558.69 | Num_heavy_atoms: | 38 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD03115
Formula: C21H32O6S
Smiles:
CC(=O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 412.55 | Num_heavy_atoms: | 28 |
| TPSA: | 100.9 | NumAromaticRings: | 0 |
