Glycoside
GD149671
Name:
5-{[3-({3,4-dihydroxy-4-[(4-hydroxy-3,5-dimethoxybenzoyloxy)methyl]oxolan-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxybenzoic acidFormula:
C27H32O17Smiles:
COc1cc(C(=O)OCC2(O)COC(OC3C(Oc4ccc(O)c(C(=O)O)c4)OC(CO)C(O)C3O)C2O)cc(OC)c1OAglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1.O=C(O)c1cc(O)ccc1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 11 |
| MolWt: | 628.54 | Num_heavy_atoms: | 44 |
| TPSA: | 260.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD00094
Formula: C10H12O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD05966
Formula: C7H6O4
Smiles:
O=C(O)c1cc(O)ccc1O| 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 |
