Glycoside
GD022993
Name:
NoneFormula:
C36H62O9Smiles:
CC(C)(O)CCC[C@@](C)(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)[C@H]1C(=O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]12CAglycone:
CC(C)(O)CCCC(C)(O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 3.73 | Num_rotatable_bonds: | 8 |
| MolWt: | 638.88 | Num_heavy_atoms: | 45 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD15512
Formula: C30H52O4
Smiles:
CC(C)(O)CCCC(C)(O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 5.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
