Glycoside
GD127545
Name:
3,5-bis(benzyloxy)-2-{[4,5,6-tris(benzyloxy)oxan-3-yl]oxy}oxan-4-yl benzoateFormula:
C52H52O10Smiles:
O=C(OC1C(OCc2ccccc2)COC(OC2COC(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C1OCc1ccccc1)c1ccccc1Aglycone:
O=C(O)c1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1COC(OC2COC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 8.87 | Num_rotatable_bonds: | 19 |
| MolWt: | 836.98 | Num_heavy_atoms: | 62 |
| TPSA: | 100.14 | NumAromaticRings: | 6 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
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 |
