Glycoside
GD018097
Name:
NoneFormula:
C28H38O10Smiles:
CC(=O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CCc4cc(O)c(OC5OC(CO)C(O)C(O)C5O)cc4[C@@]3(C)C(=O)C[C@]12CAglycone:
CC(=O)C1C(O)CC2(C)C3CCc4cc(O)c(O)cc4C3(C)C(=O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 534.6 | Num_heavy_atoms: | 38 |
| TPSA: | 173.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD12823
Formula: C22H28O5
Smiles:
CC(=O)C1C(O)CC2(C)C3CCc4cc(O)c(O)cc4C3(C)C(=O)CC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.46 | Num_heavy_atoms: | 27 |
| TPSA: | 94.83 | NumAromaticRings: | 1 |
