Glycoside
GD135401
Name:
3,5-bis(benzyloxy)-2-{[3-(benzyloxy)-5,6-dimethoxy-2-methyloxan-4-yl]oxy}-6-methyl-4-[(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy]oxaneFormula:
C44H60O13Smiles:
COC1OC(C)C(OCc2ccccc2)C(OC2OC(C)C(OCc3ccccc3)C(OC3OC(C)C(OC)C(OC)C3OC)C2OCc2ccccc2)C1OCAglycone:
OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
COC1OC(C)C(O)C(OC2OC(C)C(O)C(OC3OC(C)C(OC)C(OC)C3OC)C2O)C1OCOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.59 |
| AlogP: | 5.45 | Num_rotatable_bonds: | 18 |
| MolWt: | 796.95 | Num_heavy_atoms: | 57 |
| TPSA: | 119.99 | NumAromaticRings: | 3 |
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 |
