Glycoside
GD131684
Name:
5-({6-[(6-acetyl-2-methyl-2H-chromen-2-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3-hydroxy-3-methyl-5-oxopentanoic acidFormula:
C25H32O12Smiles:
CC(=O)c1ccc2c(c1)C=CC(C)(COC1OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C1O)O2Aglycone:
CC(=O)c1ccc2c(c1)C=CC(C)(CO)O2.COC(=O)CC(C)(O)CC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 10 |
| MolWt: | 524.52 | Num_heavy_atoms: | 37 |
| TPSA: | 189.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD01854
Formula: C7H12O5
Smiles:
COC(=O)CC(C)(O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
AD50833
Formula: C13H14O3
Smiles:
CC(=O)c1ccc2c(c1)C=CC(C)(CO)O2| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 218.25 | Num_heavy_atoms: | 16 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
