Glycoside
GD123971
Name:
3-[(5-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]-2,6-dimethoxybenzoic acidFormula:
C22H26O11Smiles:
COc1ccc(Cc2cc(O)ccc2OC2OC(CO)C(O)C(O)C2O)c(OC)c1C(=O)OAglycone:
COc1ccc(Cc2cc(O)ccc2O)c(OC)c1C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 466.44 | Num_heavy_atoms: | 33 |
| TPSA: | 175.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD50059
Formula: C16H16O6
Smiles:
COc1ccc(Cc2cc(O)ccc2O)c(OC)c1C(=O)O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
