Glycoside
GD027789
Name:
{3,4,5-trihydroxy-6-[(2,3,4,5,6-pentahydroxyhexyl)oxy]oxan-2-yl}methyl 3-phenylprop-2-enoateFormula:
C21H30O12Smiles:
O=C(C=Cc1ccccc1)OC[C@@H]1O[C@H](OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)C=Cc1ccccc1Sugarmoiety:
OCC(O)C(O)C(O)C(O)COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -3.5 | Num_rotatable_bonds: | 11 |
| MolWt: | 474.46 | Num_heavy_atoms: | 33 |
| TPSA: | 206.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
