Glycoside
GD122220
Name:
Asparoside BFormula:
C44H72O17Smiles:
CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C12Aglycone:
CC1=C(CCC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 12 |
| MolWt: | 873.04 | Num_heavy_atoms: | 61 |
| TPSA: | 266.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD16454
Formula: C27H44O3
Smiles:
CC1=C(CCC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C12| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 416.65 | Num_heavy_atoms: | 30 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
