Glycoside
GD134349
Name:
NoneFormula:
C56H98O20N2Smiles:
CC(=O)OC(CCCCCCCC(=O)CCCCCCCCCCCC(O)=NCCCCN(C)C)C(CCC(C)C)OC1OCC(OC2OCC(O)C(OC3OCC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C2O)C(O)C1OAglycone:
CC(=O)OC(CCCCCCCC(=O)CCCCCCCCCCCC(O)=NCCCCN(C)C)C(O)CCC(C)CSugarmoiety:
CC(=O)OC1COC(OC2C(O)COC(OC3COC(O)C(O)C3O)C2O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 39 |
| MolWt: | 1119.39 | Num_heavy_atoms: | 78 |
| TPSA: | 294.4 | NumAromaticRings: | 0 |
Unique Aglycone
AD54356
Formula: C35H68O5N2
Smiles:
CC(=O)OC(CCCCCCCC(=O)CCCCCCCCCCCC(O)=NCCCCN(C)C)C(O)CCC(C)C| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 8.6 | Num_rotatable_bonds: | 30 |
| MolWt: | 596.94 | Num_heavy_atoms: | 42 |
| TPSA: | 99.43 | NumAromaticRings: | 0 |
