Glycoside
GD032061
Name:
1-[3-hydroxy-2-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethan-1-oneFormula:
C19H24O9Smiles:
C=C(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1Oc2ccc(C(C)=O)cc2[C@H]1OAglycone:
C=C(CO)C1Oc2ccc(C(C)=O)cc2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 396.39 | Num_heavy_atoms: | 28 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD18735
Formula: C13H14O4
Smiles:
C=C(CO)C1Oc2ccc(C(C)=O)cc2C1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 234.25 | Num_heavy_atoms: | 17 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
