Glycoside
GD143866
Name:
{3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl}methyl 2-hydroxybenzoateFormula:
C20H22O9Smiles:
O=C(OCC1OC(Oc2ccccc2CO)C(O)C(O)C1O)c1ccccc1OAglycone:
COC(=O)c1ccccc1O.OCc1ccccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 406.39 | Num_heavy_atoms: | 29 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD05140
Formula: C7H8O2
Smiles:
OCc1ccccc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD05895
Formula: C8H8O3
Smiles:
COC(=O)c1ccccc1O| 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 |
