Glycoside
GD033548
Name:
NoneFormula:
C36H58O8Smiles:
C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CCCC(C)(C)[C@H]5CC[C@]43C)[C@H]2[C@]1(C)OAglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCCC(C)(C)C5CCC43C)C2C1(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 4.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 618.85 | Num_heavy_atoms: | 44 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD21402
Formula: C30H48O3
Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCCC(C)(C)C5CCC43C)C2C1(C)O| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 7.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
