Glycoside
GD120435
Name:
methyl 5-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-oxabicyclo[4.1.0]hepta-1,3,5-triene-3-carboxylateFormula:
C14H16O9Smiles:
COC(=O)c1cc(O)c2c(c1C1OC(CO)C(O)C(O)C1O)O2Aglycone:
COC(=O)c1cc(O)c2c(c1)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 328.27 | Num_heavy_atoms: | 23 |
| TPSA: | 149.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD48382
Formula: C8H6O4
Smiles:
COC(=O)c1cc(O)c2c(c1)O2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 166.13 | Num_heavy_atoms: | 12 |
| TPSA: | 59.06 | NumAromaticRings: | 1 |
