Glycoside
GD132043
Name:
NoneFormula:
C25H33O11NCl2Smiles:
COc1c(Cl)c(O)c(Cl)c(C)c1C(=O)OC1C(C)OC(O)CC1OC1CC(C)([NH+]([O-])O)C(OC)C(C)O1Aglycone:
COC1C(C)OC(O)CC1(C)[NH+]([O-])O.COc1c(Cl)c(O)c(Cl)c(C)c1C(=O)OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 570.42 | Num_heavy_atoms: | 37 |
| TPSA: | 160.64 | NumAromaticRings: | 1 |
Unique Aglycone
AD01435
Formula: C11H8O4Cl2
Smiles:
COc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 251.06 | Num_heavy_atoms: | 15 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD49644
Formula: C8H17O5N
Smiles:
COC1C(C)OC(O)CC1(C)[NH+]([O-])O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 207.23 | Num_heavy_atoms: | 14 |
| TPSA: | 86.42 | NumAromaticRings: | 0 |
