Glycoside
GD004849
Name:
NoneFormula:
C29H46O8Smiles:
CC(=O)C=C[C@@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@]12CAglycone:
CC(=O)C=CC1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 522.68 | Num_heavy_atoms: | 37 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD04184
Formula: C23H36O3
Smiles:
CC(=O)C=CC1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 4.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 360.54 | Num_heavy_atoms: | 26 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
