Glycoside
GD151273
Name:
Herniariasaponin 2Formula:
C56H88O26Smiles:
CC(=O)OC1CC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)OC4OC(COC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)CCC23C)C(C)(C(=O)O)C1OAglycone:
CC(=O)OC1CC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)CCC23C)C(C)(C(=O)O)C1OSugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.91 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 13 |
| MolWt: | 1177.29 | Num_heavy_atoms: | 82 |
| TPSA: | 417.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD56841
Formula: C32H48O7
Smiles:
CC(=O)OC1CC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)CCC23C)C(C)(C(=O)O)C1O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 5.84 | Num_rotatable_bonds: | 3 |
| MolWt: | 544.73 | Num_heavy_atoms: | 39 |
| TPSA: | 121.13 | NumAromaticRings: | 0 |
