Glycoside
GD121628
Name:
Abutiloside CFormula:
C44H74O17Smiles:
CC(CO)CCC(=O)C(C)C1C(O)CC2C3CCC4CC(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC21CAglycone:
CC(CO)CCC(=O)C(C)C1C(O)CC2C3CCC4CC(O)CCC4(C)C3CCC21CSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.98 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 13 |
| MolWt: | 875.06 | Num_heavy_atoms: | 61 |
| TPSA: | 274.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD48791
Formula: C27H46O4
Smiles:
CC(CO)CCC(=O)C(C)C1C(O)CC2C3CCC4CC(O)CCC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.96 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.66 | Num_heavy_atoms: | 31 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
