Glycoside
GD130780
Name:
1-[4-hydroxy-2,5-bis(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-3-yl]-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-oneFormula:
C23H32O13Smiles:
COc1cc(C=CC(=O)CC2C(O)C(CO)OC2(CO)OC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C=CC(C)=O)ccc1OSugarmoiety:
OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.61 |
| AlogP: | -2.75 | Num_rotatable_bonds: | 10 |
| MolWt: | 516.5 | Num_heavy_atoms: | 36 |
| TPSA: | 215.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD03950
Formula: C11H12O3
Smiles:
COc1cc(C=CC(C)=O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.21 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
