Glycoside
GD151301
Name:
{3,4-dihydroxy-5-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxolan-3-yl}methyl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C20H28O14Smiles:
COc1cc(C(=O)OCC2(O)COC(OCC3OC(O)C(O)C(O)C3O)C2O)cc(OC)c1OAglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1Sugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -3.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 492.43 | Num_heavy_atoms: | 34 |
| TPSA: | 214.06 | NumAromaticRings: | 1 |
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 |
