Glycoside
GD150216
Name:
2-{[3,5-dihydroxy-2-(3-hydroxy-5-methylphenoxy)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C19H28O12Smiles:
Cc1cc(O)cc(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)c1Aglycone:
Cc1cc(O)cc(O)c1Sugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.68 |
| AlogP: | -3.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.42 | Num_heavy_atoms: | 31 |
| TPSA: | 198.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD15706
Formula: C7H8O2
Smiles:
Cc1cc(O)cc(O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 0 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
