Glycoside
GD154743
Name:
Sinapinic Acid-O-Glucuronide IsomerFormula:
C17H20O11Smiles:
COc1cc(C=CC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(C=CC(=O)O)cc(OC)c1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 400.34 | Num_heavy_atoms: | 28 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD03983
Formula: C11H12O5
Smiles:
COc1cc(C=CC(=O)O)cc(OC)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 224.21 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
