Glycoside
GD115016
Name:
4'-Deoxykanokoside CFormula:
C27H42O16Smiles:
CCC(C)C(=O)OC1OC=C(COC2OC(COC3OC(CO)C(O)C(O)C3O)CC(O)C2O)C2C3OC3C(O)(CO)C12Aglycone:
CCC(C)C(=O)OC1OC=C(CO)C2C3OC3C(O)(CO)C12Sugarmoiety:
OCC1OC(OCC2CC(O)C(O)C(O)O2)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | -3.78 | Num_rotatable_bonds: | 11 |
| MolWt: | 622.62 | Num_heavy_atoms: | 43 |
| TPSA: | 246.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD45417
Formula: C15H22O7
Smiles:
CCC(C)C(=O)OC1OC=C(CO)C2C3OC3C(O)(CO)C12| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 314.33 | Num_heavy_atoms: | 22 |
| TPSA: | 108.75 | NumAromaticRings: | 0 |
