Glycoside
GD011244
Name:
NoneFormula:
C36H58O11Smiles:
C[C@@H]1C[C@H]([C@H](O)C(C)(C)O)O[C@@]2(O)[C@@H]1[C@]1(C)CC[C@]34C[C@]35CC[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@H]5CC=C4[C@@]1(C)[C@H]2OAglycone:
CC1CC(C(O)C(C)(C)O)OC2(O)C1C1(C)CCC34CC35CCC(O)C(C)(C)C5CC=C4C1(C)C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 666.85 | Num_heavy_atoms: | 47 |
| TPSA: | 189.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD08616
Formula: C30H48O6
Smiles:
CC1CC(C(O)C(C)(C)O)OC2(O)C1C1(C)CCC34CC35CCC(O)C(C)(C)C5CC=C4C1(C)C2O| HBA: | 6 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 504.71 | Num_heavy_atoms: | 36 |
| TPSA: | 110.38 | NumAromaticRings: | 0 |
