Glycoside
GD119617
Name:
2-[(2-{[6-(benzyloxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C25H38O16Smiles:
OCC1OC(OC2C(O)C(CO)OC(OC3C(CO)OC(OCc4ccccc4)C(O)C3O)C2O)C(O)C(O)C1OAglycone:
OCc1ccccc1Sugarmoiety:
OCC1OC(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.76 |
| AlogP: | -5.35 | Num_rotatable_bonds: | 10 |
| MolWt: | 594.56 | Num_heavy_atoms: | 41 |
| TPSA: | 257.68 | 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 |
