Glycoside
GD141458
Name:
(3,4,5-trihydroxy-6-{2-[2-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy)acetyl]phenoxy}oxan-2-yl)methyl benzoateFormula:
C33H36O15Smiles:
O=C(OCC1OC(Oc2ccccc2C(=O)COc2ccccc2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1Aglycone:
COC(=O)c1ccccc1.O=C(COc1ccccc1O)c1ccccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 12 |
| MolWt: | 672.64 | Num_heavy_atoms: | 48 |
| TPSA: | 231.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD56985
Formula: C14H12O4
Smiles:
O=C(COc1ccccc1O)c1ccccc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 244.25 | Num_heavy_atoms: | 18 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
