Glycoside
GD140416
Name:
4-hydroxy-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:
C21H32O8Smiles:
CC(C=CC1(O)C(C)=CC(=O)CC1(C)C)=CCOC1OC(CO)C(O)C(O)C1OAglycone:
CC(C=CC1(O)C(C)=CC(=O)CC1(C)C)=CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 412.48 | Num_heavy_atoms: | 29 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD56622
Formula: C15H22O3
Smiles:
CC(C=CC1(O)C(C)=CC(=O)CC1(C)C)=CCO| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
