Glycoside
GD143783
Name:
6-{2-[({5-[(4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-3,4-dihydroxyoxan-2-yl}oxy)methyl]-6-hydroxy-4-methylphenoxy}-3-(1-hydroxy-3-methylbutyl)-2-methoxybenzoic acidFormula:
C36H50O19Smiles:
COc1c(C(O)CC(C)C)ccc(Oc2c(O)cc(C)cc2COC2OCC(OC3OCC(O)C(OC4OC(CO)C(O)C4O)C3O)C(O)C2O)c1C(=O)OAglycone:
COc1c(C(O)CC(C)C)ccc(Oc2c(O)cc(C)cc2CO)c1C(=O)OSugarmoiety:
OCC1OC(OC2C(O)COC(OC3COC(O)C(O)C3O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.64 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 15 |
| MolWt: | 786.78 | Num_heavy_atoms: | 55 |
| TPSA: | 293.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD44535
Formula: C21H26O7
Smiles:
COc1c(C(O)CC(C)C)ccc(Oc2c(O)cc(C)cc2CO)c1C(=O)O| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 390.43 | Num_heavy_atoms: | 28 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
