Glycoside
GD144071
Name:
Chamaeliroside DFormula:
C44H76O19Smiles:
CC(C)C(OC1OCC(O)C(O)C1O)C(O)CC(C)C1C(O)CC2C3CC(O)C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CCC4(C)C3CCC21CAglycone:
CC(C)C(O)C(O)CC(C)C1C(O)CC2C3CC(O)C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 1.0 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 13 |
| MolWt: | 909.07 | Num_heavy_atoms: | 63 |
| TPSA: | 318.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD02443
Formula: C27H48O5
Smiles:
CC(C)C(O)C(O)CC(C)C1C(O)CC2C3CC(O)C4CC(O)CCC4(C)C3CCC21C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.68 | Num_heavy_atoms: | 32 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
