Glycoside
GD150461
Name:
4-[6-[(6-O-Acetyl-Beta-D-Glucopyranosyl)Oxy]-3-Methyl-2-Oxohexyl]Dihydro-3-Methylene-5-(2-Oxopropyl)-2(3H)-FuranoneFormula:
C23H34O11Smiles:
C=C1C(=O)OC(CC(C)=O)C1CC(=O)C(C)CCCOC1OC(COC(C)=O)C(O)C(O)C1OAglycone:
C=C1C(=O)OC(CC(C)=O)C1CC(=O)C(C)CCCO.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 12 |
| MolWt: | 486.51 | Num_heavy_atoms: | 34 |
| TPSA: | 165.89 | 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 |
AD60102
Formula: C15H22O5
Smiles:
C=C1C(=O)OC(CC(C)=O)C1CC(=O)C(C)CCCO| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 282.34 | Num_heavy_atoms: | 20 |
| TPSA: | 80.67 | NumAromaticRings: | 0 |
