Glycoside
GD019774
Name:
NoneFormula:
C28H42O7Smiles:
C[C@H](C1CC(C)(O)C(C)(O)C(O)O1)[C@@H]1CC[C@@H]2[C@@H]3[C@@H]4O[C@H]4[C@]4(O)CC=CC(=O)[C@@]4(C)[C@H]3CC[C@@]12CAglycone:
CCC1CCC2C3C4OC4C4(O)CC=CC(=O)C4(C)C3CCC12CSugarmoiety:
CC1(O)CC(O)OC(O)C1(C)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 490.64 | Num_heavy_atoms: | 35 |
| TPSA: | 119.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD13756
Formula: C21H30O3
Smiles:
CCC1CCC2C3C4OC4C4(O)CC=CC(=O)C4(C)C3CCC12C| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 330.47 | Num_heavy_atoms: | 24 |
| TPSA: | 49.83 | NumAromaticRings: | 0 |
