Glycoside
GD157099
Name:
Abutiloside JFormula:
C48H81O17NSmiles:
CCCC(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:
CCCC(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: | 1.49 | Num_rotatable_bonds: | 16 |
| MolWt: | 944.17 | Num_heavy_atoms: | 66 |
| TPSA: | 287.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD46990
Formula: C31H53O4N
Smiles:
CCCC(O)=NCC(C)CCC(=O)C(C)C1C(O)CC2C3CCC4CC(O)CCC4(C)C3CCC21C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 6.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 503.77 | Num_heavy_atoms: | 36 |
| TPSA: | 90.12 | NumAromaticRings: | 0 |
