Glycoside
GD034726
Name:
NoneFormula:
C48H80O17Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4CC(=O)[C@@H]4[C@H]([C@@](C)(O)CC=CC(C)(C)O)CC[C@]45C)C3(C)C)O[C@@H](CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(C)(O)C=CCC(C)(O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.94 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 11 |
| MolWt: | 929.15 | Num_heavy_atoms: | 65 |
| TPSA: | 274.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD20465
Formula: C30H50O4
Smiles:
CC(C)(O)C=CCC(C)(O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
