Glycoside
GD133090
Name:
3-[3-(acetyloxy)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl]prop-2-enoic acidFormula:
C17H20O10Smiles:
CC(=O)Oc1cc(C=CC(=O)O)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)Oc1cc(C=CC(=O)O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 384.34 | Num_heavy_atoms: | 27 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD53879
Formula: C11H10O5
Smiles:
CC(=O)Oc1cc(C=CC(=O)O)ccc1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 222.2 | Num_heavy_atoms: | 16 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
