Glycoside
GD122903
Name:
4-({6-[(2,4-dihydroxy-3,5-dimethoxybenzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3-methoxybenzoic acidFormula:
C23H26O14Smiles:
COc1cc(C(=O)O)ccc1OC1OC(COC(=O)c2cc(OC)c(O)c(OC)c2O)C(O)C(O)C1OAglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1O.COc1cc(C(=O)O)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 9 |
| MolWt: | 526.45 | Num_heavy_atoms: | 37 |
| TPSA: | 210.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD08832
Formula: C8H8O4
Smiles:
COc1cc(C(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD45957
Formula: C10H12O6
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 228.2 | Num_heavy_atoms: | 16 |
| TPSA: | 85.22 | NumAromaticRings: | 1 |
