Glycoside
GD136407
Name:
Prusianoside BFormula:
C41H68O13Smiles:
CC(C)(O)C1CCC(C)(C2C(OC3OC(CO)C(O)C(O)C3O)CC3(C)C4CCC5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC56CC46CCC23C)O1Aglycone:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC23C)O1Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 768.98 | Num_heavy_atoms: | 54 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD20343
Formula: C30H50O4
Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC23C)O1| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
