Glycoside
GD154210
Name:
PrimulasaponinFormula:
C54H90O22Smiles:
CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CO)C(O)CC45C)C3(C)C)OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C2O)C(O)C(O)C1OAglycone:
CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.96 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 12 |
| MolWt: | 1091.29 | Num_heavy_atoms: | 76 |
| TPSA: | 357.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD07473
Formula: C30H50O3
Smiles:
CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
