Glycoside
GD150056
Name:
Snatzkein GFormula:
C42H72O14Smiles:
CC(C)(O)C1C(O)CC2(CO)CCC3(C)C(CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C12Aglycone:
CC(C)(O)C1C(O)CC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 801.02 | Num_heavy_atoms: | 56 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD57540
Formula: C30H52O4
Smiles:
CC(C)(O)C1C(O)CC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 5.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
