Glycoside
GD150281
Name:
6-[(3,4-dihydroxybenzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl 3,4-dihydroxybenzoateFormula:
C20H20O12Smiles:
O=C(OCC1OC(OC(=O)c2ccc(O)c(O)c2)C(O)C(O)C1O)c1ccc(O)c(O)c1Aglycone:
COC(=O)c1ccc(O)c(O)c1.O=C(O)c1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.3 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.37 | Num_heavy_atoms: | 32 |
| TPSA: | 203.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD13436
Formula: C8H8O4
Smiles:
COC(=O)c1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD13437
Formula: C7H6O4
Smiles:
O=C(O)c1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.12 | Num_heavy_atoms: | 11 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
