Glycoside
GD142587
Name:
Latifoloside KFormula:
C53H84O21Smiles:
CC1=C2C3=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)OC2OC(CO)C(O)C(O)C2O)CCC1CAglycone:
CC1=C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1CSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.91 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 10 |
| MolWt: | 1057.23 | Num_heavy_atoms: | 74 |
| TPSA: | 333.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD14734
Formula: C30H46O3
Smiles:
CC1=C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1C| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 7.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 454.7 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
