Glycoside
GD131588
Name:
NaucleidinalFormula:
C21H30O9Smiles:
CC1=C2CC(C(C)C(=O)O)C(C(=O)OC3OC(CO)C(O)C(O)C3O)C=C2CCC1Aglycone:
CC1=C2CC(C(C)C(=O)O)C(C(=O)O)C=C2CCC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.46 | Num_heavy_atoms: | 30 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD53302
Formula: C15H20O4
Smiles:
CC1=C2CC(C(C)C(=O)O)C(C(=O)O)C=C2CCC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
