Glycoside
GD134009
Name:
[5-({6-[({3,4-dihydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxolan-2-yl}oxy)methyl]-4,5-dihydroxy-2-(3,4,5-trimethoxyphenoxy)oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxy-3-methoxybenzoateFormula:
C41H50O23Smiles:
COc1cc(C(=O)OCC2(O)COC(OCC3OC(Oc4cc(OC)c(OC)c(OC)c4)C(OC4OCC(O)(COC(=O)c5ccc(O)c(OC)c5)C4O)C(O)C3O)C2O)ccc1OAglycone:
COC(=O)c1ccc(O)c(OC)c1.COC(=O)c1ccc(O)c(OC)c1.COc1cc(O)cc(OC)c1OCSugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.51 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 18 |
| MolWt: | 910.83 | Num_heavy_atoms: | 64 |
| TPSA: | 315.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD00095
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD07763
Formula: C9H12O4
Smiles:
COc1cc(O)cc(OC)c1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 47.92 | NumAromaticRings: | 1 |
