Glycoside
GD120108
Name:
DumosideFormula:
C40H62O16Smiles:
CC1OC(OC2C(CO)OC(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC5OC(=O)C(C)C54)C3)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OAglycone:
CC1C(=O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 798.92 | Num_heavy_atoms: | 56 |
| TPSA: | 243.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD48210
Formula: C22H32O3
Smiles:
CC1C(=O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 344.5 | Num_heavy_atoms: | 25 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
