Glycoside
GD037249
Name:
NoneFormula:
C34H52O12Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)C(=CC[C@@H]4[C@H]3C(=O)[C@@H]3O[C@H](C)[C@@H]5CC[C@@]4(O)[C@]35C)C2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1OC2C(=O)C3C(CC=C4CC(O)CCC43C)C3(O)CCC1C23CSugarmoiety:
COC1CC(O)OC(C)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 652.78 | Num_heavy_atoms: | 46 |
| TPSA: | 173.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD13350
Formula: C21H30O4
Smiles:
CC1OC2C(=O)C3C(CC=C4CC(O)CCC43C)C3(O)CCC1C23C| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 0 |
| MolWt: | 346.47 | Num_heavy_atoms: | 25 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
