Glycoside
GD132648
Name:
[3,4-bis(acetyloxy)-5-{[3,4,5-tris(acetyloxy)-6-(4-ethenylphenoxy)oxan-2-yl]methoxy}oxolan-3-yl]methyl acetateFormula:
C31H38O16Smiles:
C=Cc1ccc(OC2OC(COC3OCC(COC(C)=O)(OC(C)=O)C3OC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1Aglycone:
C=Cc1ccc(O)cc1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(COC2OCC(O)(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.55 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 13 |
| MolWt: | 666.63 | Num_heavy_atoms: | 47 |
| TPSA: | 194.72 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD21788
Formula: C8H8O
Smiles:
C=Cc1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 120.15 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
