Glycoside
GD128435
Name:
[5-({6-[4-(1,2-dihydroxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3,4-dihydroxyoxolan-3-yl]methyl 4-methoxybenzoateFormula:
C28H36O15Smiles:
COc1ccc(C(=O)OCC2(O)COC(OCC3OC(Oc4ccc(C(O)CO)cc4OC)C(O)C(O)C3O)C2O)cc1Aglycone:
COC(=O)c1ccc(OC)cc1.COc1cc(C(O)CO)ccc1OSugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 12 |
| MolWt: | 612.58 | Num_heavy_atoms: | 43 |
| TPSA: | 223.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD02530
Formula: C9H10O3
Smiles:
COC(=O)c1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
AD51928
Formula: C9H12O4
Smiles:
COc1cc(C(O)CO)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 69.92 | NumAromaticRings: | 1 |
