Glycoside
GD145304
Name:
{3,4-dihydroxy-5-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxolan-3-yl}methyl 4-hydroxy-3-methoxybenzoateFormula:
C19H26O13Smiles:
COc1cc(C(=O)OCC2(O)COC(OCC3OC(O)C(O)C(O)C3O)C2O)ccc1OAglycone:
COC(=O)c1ccc(O)c(OC)c1Sugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.63 |
| AlogP: | -3.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 462.4 | Num_heavy_atoms: | 32 |
| TPSA: | 204.83 | NumAromaticRings: | 1 |
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 |
