Glycoside
GD118835
Name:
4,4,8-trimethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[3.3.3.0¹,âµ]undec-2-ene-2-carbaldehydeFormula:
C21H32O7Smiles:
CC1CCC23CCC(OC4OC(CO)C(O)C(O)C4O)C12C(C=O)=CC3(C)CAglycone:
CC1CCC23CCC(O)C12C(C=O)=CC3(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 396.48 | Num_heavy_atoms: | 28 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD47549
Formula: C15H22O2
Smiles:
CC1CCC23CCC(O)C12C(C=O)=CC3(C)C| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 234.34 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
