Glycoside
GD157719
Name:
3,5,5-trimethyl-4-(3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}penta-1,3-dien-1-yl)cyclohex-2-en-1-oneFormula:
C21H32O7Smiles:
CC(C=CC1C(C)=CC(=O)CC1(C)C)=CCOC1OC(CO)C(O)C(O)C1OAglycone:
CC(C=CC1C(C)=CC(=O)CC1(C)C)=CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 396.48 | Num_heavy_atoms: | 28 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD62332
Formula: C15H22O2
Smiles:
CC(C=CC1C(C)=CC(=O)CC1(C)C)=CCO| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 234.34 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
