Glycoside
GD142116
Name:
3-({6-[(2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3-oxopropanoic acidFormula:
C15H20O11Smiles:
CC1=C(OC2OC(COC(=O)CC(=O)O)C(O)C(O)C2O)C(=O)C(C)O1Aglycone:
CC1=C(O)C(=O)C(C)O1.COC(=O)CC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 376.31 | Num_heavy_atoms: | 26 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD52691
Formula: C6H8O3
Smiles:
CC1=C(O)C(=O)C(C)O1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 0 |
| MolWt: | 128.13 | Num_heavy_atoms: | 9 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
