Glycoside
GD151737
Name:
Cuminoside AFormula:
C21H30O8Smiles:
CC1=CCC2C1C1OC(=O)C(C)=C1CCC2(C)OC1OC(CO)C(O)C(O)C1OAglycone:
CC1=CCC2C1C1OC(=O)C(C)=C1CCC2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 410.46 | Num_heavy_atoms: | 29 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD60481
Formula: C15H20O3
Smiles:
CC1=CCC2C1C1OC(=O)C(C)=C1CCC2(C)O| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 248.32 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
