Glycoside
GD122507
Name:
NoneFormula:
C68H128O24N2Smiles:
CCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1OC1OC(COC2OC(CO)C(O)C(OC3OC(C)C(O)C(O)C3O)C2N=C(C)O)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCC(C)CCAglycone:
CCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCC(C)CCSugarmoiety:
CC(O)=NC1C(OCC2OC(OC3C(O)OC(CO)C(O)C3O)C(O)C(O)C2O)OC(CO)C(O)C1OC1OC(C)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 4 |
| HBD: | 16 | FractionCSP3: | 0.97 |
| AlogP: | 4.85 | Num_rotatable_bonds: | 50 |
| MolWt: | 1357.76 | Num_heavy_atoms: | 94 |
| TPSA: | 422.24 | NumAromaticRings: | 0 |
Unique Aglycone
AD49375
Formula: C42H85O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCC(C)CC| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.98 |
| AlogP: | 11.55 | Num_rotatable_bonds: | 38 |
| MolWt: | 684.14 | Num_heavy_atoms: | 48 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
Sugarmoiety
SD04833
CC(O)=NC1C(OCC2OC(OC3C(O)OC(CO)C(O)C3O)C(O)C(O)C2O)OC(CO)C(O)C1OC1OC(C)C(O)C(O)C1O