Glycoside
GD148613
Name:
3,5-dihydroxy-4-({2,3,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-4-yl}oxy)benzoic acidFormula:
C20H20O14Smiles:
O=C(O)c1cc(O)c(OC2C(O)C(O)OC(COC(=O)c3cc(O)c(O)c(O)c3)C2O)c(O)c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.3 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 484.37 | Num_heavy_atoms: | 34 |
| TPSA: | 243.9 | NumAromaticRings: | 2 |
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 |
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
