Glycoside
GD148961
Name:
Floratheasaponin HFormula:
C62H96O27Smiles:
CC=C(C)C(=O)OC1C(OC(C)=O)C2(CO)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)CAglycone:
CC=C(C)C(=O)OC1C(OC(C)=O)C2(CO)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)CSugarmoiety:
CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.87 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 15 |
| MolWt: | 1273.42 | Num_heavy_atoms: | 89 |
| TPSA: | 412.57 | NumAromaticRings: | 0 |
Unique Aglycone
AD45903
Formula: C39H60O8
Smiles:
CC=C(C)C(=O)OC1C(OC(C)=O)C2(CO)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 6.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 656.9 | Num_heavy_atoms: | 47 |
| TPSA: | 119.36 | NumAromaticRings: | 0 |
