Glycoside
GD118002
Name:
(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 4-hydroxybenzoateFormula:
C19H26O13Smiles:
O=C(OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O)c1ccc(O)cc1Aglycone:
COC(=O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.63 |
| AlogP: | -3.83 | Num_rotatable_bonds: | 7 |
| MolWt: | 462.4 | Num_heavy_atoms: | 32 |
| TPSA: | 215.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
