Glycoside
GD149017
Name:
3,4,5-trihydroxy-6-methoxy-6-oxo-2-(3,4,5-trihydroxybenzoyloxy)hexanoic acidFormula:
C14H16O12Smiles:
COC(=O)C(O)C(O)C(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C(=O)OAglycone:
O=Cc1cc(O)c(O)c(O)c1Sugarmoiety:
COC(=O)C(O)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.36 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 376.27 | Num_heavy_atoms: | 26 |
| TPSA: | 211.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD02035
Formula: C7H6O4
Smiles:
O=Cc1cc(O)c(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.12 | Num_heavy_atoms: | 11 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
