Glycoside
GD125999
Name:
{3,4-dihydroxy-5-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxolan-3-yl}methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C21H28O13Smiles:
COc1cc(C=CC(=O)OCC2(O)COC(OCC3OC(O)C(O)C(O)C3O)C2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1Sugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -2.78 | Num_rotatable_bonds: | 8 |
| MolWt: | 488.44 | Num_heavy_atoms: | 34 |
| TPSA: | 204.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
