Glycoside
GD135392
Name:
Abutiloside BFormula:
C46H77O17NSmiles:
CC(O)=NCC(C)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(O)=NCC(C)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: | 18 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 14 |
| MolWt: | 916.11 | Num_heavy_atoms: | 64 |
| TPSA: | 287.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD54746
Formula: C29H49O4N
Smiles:
CC(O)=NCC(C)CCC(=O)C(C)C1C(O)CC2C3CCC4CC(O)CCC4(C)C3CCC21C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 475.71 | Num_heavy_atoms: | 34 |
| TPSA: | 90.12 | NumAromaticRings: | 0 |
