Glycoside
GD144525
Name:
Lemmonin BFormula:
C23H34O9Smiles:
C=C1CC2OC(=O)C(C)C2CC2C1CCC2(C)OC1OC(COC(C)=O)C(O)C(O)C1OAglycone:
C=C1CC2OC(=O)C(C)C2CC2C1CCC2(C)O.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 454.52 | Num_heavy_atoms: | 32 |
| TPSA: | 131.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD51705
Formula: C15H22O3
Smiles:
C=C1CC2OC(=O)C(C)C2CC2C1CCC2(C)O| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
