Glycoside
GD031128
Name:
NoneFormula:
C36H58O7Smiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@H]3CC[C@@H]3[C@@H]5[C@@H]6OC(=O)[C@@]5(CCC6(C)C)CC[C@]34C)C2(C)C)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)CCC23CCC4(C)C(CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C2C1OC3=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 5.62 | Num_rotatable_bonds: | 2 |
| MolWt: | 602.85 | Num_heavy_atoms: | 43 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD01141
Formula: C30H48O3
Smiles:
CC1(C)CCC23CCC4(C)C(CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C2C1OC3=O| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.97 |
| AlogP: | 6.76 | Num_rotatable_bonds: | 0 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
