Glycoside
GD151304
Name:
[4,5-bis(acetyloxy)-6-{[3,4-bis(acetyloxy)-2,5-bis(chloromethyl)oxolan-2-yl]oxy}-3-chlorooxan-2-yl]methyl acetateFormula:
C25H29O13Cl3Smiles:
CC(=O)OCC1OC(OC2(CCl)OC(CCl)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1ClAglycone:
COC(C)=OSugarmoiety:
CC(=O)OC1C(OC2(CCl)OC(CCl)C(OC(C)=O)C2OC(C)=O)OC(O)C(Cl)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.77 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 10 |
| MolWt: | 607.82 | Num_heavy_atoms: | 38 |
| TPSA: | 159.19 | NumAromaticRings: | 0 |
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 |
