Glycoside
GD119059
Name:
3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoateFormula:
C22H30O15Smiles:
COc1cc(C=CC(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)cc(O)c1OAglycone:
COc1cc(C=CC(=O)O)cc(O)c1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | -3.71 | Num_rotatable_bonds: | 8 |
| MolWt: | 534.47 | Num_heavy_atoms: | 37 |
| TPSA: | 245.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD46190
Formula: C10H10O5
Smiles:
COc1cc(C=CC(=O)O)cc(O)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.1 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 210.19 | Num_heavy_atoms: | 15 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
