Glycoside
GD142002
Name:
4-{[6-(benzyloxy)-2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-4,5-dihydroxyoxan-3-yl]oxy}-6-(hydroxymethyl)cyclohexane-1,2,3-triolFormula:
C25H38O14Smiles:
OCC1CC(OC2C(COC3OCC(O)(CO)C3O)OC(OCc3ccccc3)C(O)C2O)C(O)C(O)C1OAglycone:
OCC1CC(O)C(O)C(O)C1O.OCc1ccccc1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.76 |
| AlogP: | -4.04 | Num_rotatable_bonds: | 10 |
| MolWt: | 562.57 | Num_heavy_atoms: | 39 |
| TPSA: | 228.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD07534
Formula: C7H14O5
Smiles:
OCC1CC(O)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.18 | Num_heavy_atoms: | 12 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
