Glycoside
GD031207
Name:
NoneFormula:
C37H58O11Smiles:
CC(=O)O[C@@H]1[C@@H]2O[C@]3(C(C)(C)O)CC[C@](C)(O3)[C@H]2[C@]2(CO)CC[C@@]34C[C@]35CC[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@H]5CC[C@H]4[C@]12CAglycone:
CC(=O)OC1C2OC3(C(C)(C)O)CCC(C)(O3)C2C2(CO)CCC34CC35CCC(O)C(C)(C)C5CCC4C12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 678.86 | Num_heavy_atoms: | 48 |
| TPSA: | 164.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD20116
Formula: C32H50O7
Smiles:
CC(=O)OC1C2OC3(C(C)(C)O)CCC(C)(O3)C2C2(CO)CCC34CC35CCC(O)C(C)(C)C5CCC4C12C| HBA: | 7 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 546.75 | Num_heavy_atoms: | 39 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
