Glycoside
GD036469
Name:
NoneFormula:
C41H68O14Smiles:
C[C@H](CC[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@@H]1CC[C@]2(C(=O)O)[C@@H]3CC[C@@H]4C(=CC[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)C4(C)C)C[C@H]3CC[C@]12CAglycone:
CC(CCC(O)C(C)(C)O)C1CCC2(C(=O)O)C3CCC4C(=CCC(O)C4(C)C)CC3CCC12CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 11 |
| MolWt: | 784.98 | Num_heavy_atoms: | 55 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD05179
Formula: C30H50O5
Smiles:
CC(CCC(O)C(C)(C)O)C1CCC2(C(=O)O)C3CCC4C(=CCC(O)C4(C)C)CC3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
