Glycoside
GD152118
Name:
(2,3,4,5-tetrahydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoateFormula:
C13H16O10Smiles:
O=C(OCC1(O)OCC(O)C(O)C1O)c1cc(O)c(O)c(O)c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.26 | Num_heavy_atoms: | 23 |
| TPSA: | 177.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
