Glycoside
GD116146
Name:
3-(acetyloxy)-5-(benzyloxy)-2-{[4,5-bis(acetyloxy)-6-{[4,5,6-tris(acetyloxy)oxan-3-yl]oxy}oxan-3-yl]oxy}oxan-4-yl acetateFormula:
C36H46O20Smiles:
CC(=O)OC1OCC(OC2OCC(OC3OCC(OCc4ccccc4)C(OC(C)=O)C3OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
OCc1ccccc1Sugarmoiety:
CC(=O)OC1OCC(OC2OCC(OC3OCC(O)C(OC(C)=O)C3OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.64 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 14 |
| MolWt: | 798.74 | Num_heavy_atoms: | 56 |
| TPSA: | 239.48 | 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 |
Sugarmoiety
SD04791
CC(=O)OC1OCC(OC2OCC(OC3OCC(O)C(OC(C)=O)C3OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O