Glycoside
GD124155
Name:
Platycodon Saponin 1Formula:
C36H58O13Smiles:
CC1(C)CCC23C(=O)OC4(C(O)CC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7O)C(CO)(CO)C6CCC5(C)C4(C)CC2O)C3C1Aglycone:
CC1(C)CCC23C(=O)OC4(C(O)CC5C6(C)CC(O)C(O)C(CO)(CO)C6CCC5(C)C4(C)CC2O)C3C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.97 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 698.85 | Num_heavy_atoms: | 49 |
| TPSA: | 226.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD50135
Formula: C30H48O8
Smiles:
CC1(C)CCC23C(=O)OC4(C(O)CC5C6(C)CC(O)C(O)C(CO)(CO)C6CCC5(C)C4(C)CC2O)C3C1| HBA: | 8 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 536.71 | Num_heavy_atoms: | 38 |
| TPSA: | 147.68 | NumAromaticRings: | 0 |
