Glycoside
GD125442
Name:
Platycodon Saponin 2Formula:
C42H68O17Smiles:
CC1(C)CCC23C(=O)OC4(C(O)CC5C6(C)CC(O)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1Aglycone:
CC1(C)CCC23C(=O)OC4(C(O)CC5C6(C)CC(O)C(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1Sugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.98 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 844.99 | Num_heavy_atoms: | 59 |
| TPSA: | 285.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD50738
Formula: C30H48O7
Smiles:
CC1(C)CCC23C(=O)OC4(C(O)CC5C6(C)CC(O)C(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1| HBA: | 7 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 520.71 | Num_heavy_atoms: | 37 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
