Glycoside
GD129492
Name:
Clethroidoside HFormula:
C42H68O14Smiles:
CC1C(COC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)CC2(C)CCC3(C)C(=CC=C4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C12Aglycone:
CC1C(CO)C(O)CC2(C)CCC3(C)C(=CC=C4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.9 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 796.99 | Num_heavy_atoms: | 56 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD52455
Formula: C30H48O4
Smiles:
CC1C(CO)C(O)CC2(C)CCC3(C)C(=CC=C4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 4.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
