Glycoside
GD036143
Name:
NoneFormula:
C36H58O7Smiles:
CC(C)=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=CC(C)(C)[C@H]3CC[C@]12CAglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(=O)CC1C3(C)CC=CC(C)(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 5.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 602.85 | Num_heavy_atoms: | 43 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD22824
Formula: C30H48O2
Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(=O)CC1C3(C)CC=CC(C)(C)C3CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 7.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 440.71 | Num_heavy_atoms: | 32 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
