Glycoside
GD124065
Name:
3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-2-yl]oxy}-2-(hydroxymethyl)-4H-pyran-4-oneFormula:
C18H26O14Smiles:
O=c1ccoc(CO)c1OC1OC(CO)C(O)C(OCC2OC(O)C(O)C(O)C2O)C1OAglycone:
O=c1ccoc(CO)c1OSugarmoiety:
OCC1OC(O)C(O)C(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.72 |
| AlogP: | -4.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 466.39 | Num_heavy_atoms: | 32 |
| TPSA: | 228.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD50095
Formula: C6H6O4
Smiles:
O=c1ccoc(CO)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.11 | Num_heavy_atoms: | 10 |
| TPSA: | 70.67 | NumAromaticRings: | 1 |
