Glycoside
GD036807
Name:
NoneFormula:
C36H62O7Smiles:
C[C@H](CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3Aglycone:
CC(CCCC(C)(C)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 5.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 606.89 | Num_heavy_atoms: | 43 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD23209
Formula: C30H52O2
Smiles:
CC(CCCC(C)(C)O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 7.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.74 | Num_heavy_atoms: | 32 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
