Glycoside
GD141838
Name:
{3,4,5-trihydroxy-6-[(4-oxo-4H-pyran-3-yl)oxy]oxan-2-yl}methyl 4-hydroxybenzoateFormula:
C18H18O10Smiles:
O=C(OCC1OC(Oc2coccc2=O)C(O)C(O)C1O)c1ccc(O)cc1Aglycone:
COC(=O)c1ccc(O)cc1.O=c1ccocc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 394.33 | Num_heavy_atoms: | 28 |
| TPSA: | 155.89 | NumAromaticRings: | 2 |
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 |
AD24873
Formula: C5H4O3
Smiles:
O=c1ccocc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.08 | Num_heavy_atoms: | 8 |
| TPSA: | 50.44 | NumAromaticRings: | 1 |
