Glycoside
GD154891
Name:
2-{[2-(benzyloxy)-5-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C24H36O15Smiles:
OCC1OC(OC2C(O)C(CO)OC(OCc3ccccc3)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OAglycone:
OCc1ccccc1Sugarmoiety:
OCC1OC(OC2C(O)C(CO)OC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.75 |
| AlogP: | -4.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 564.54 | Num_heavy_atoms: | 39 |
| TPSA: | 237.45 | 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 |
