Glycoside
GD152185
Name:
NoneFormula:
C64H120O24N2Smiles:
CCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1OC1OC(COC2OC(COC3OC(C(C)O)C(O)C3O)C(O)C(O)C2N=C(C)O)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCCCSugarmoiety:
CC(O)=NC1C(OCC2OC(OC3C(O)OC(CO)C(O)C3O)C(O)C(O)C2O)OC(COC2OC(C(C)O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 4 |
| HBD: | 16 | FractionCSP3: | 0.97 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 48 |
| MolWt: | 1301.65 | Num_heavy_atoms: | 90 |
| TPSA: | 422.24 | NumAromaticRings: | 0 |
Unique Aglycone
AD45647
Formula: C38H77O5N
Smiles:
CCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCCC| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 10.13 | Num_rotatable_bonds: | 35 |
| MolWt: | 628.04 | Num_heavy_atoms: | 44 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
Sugarmoiety
SD04335
CC(O)=NC1C(OCC2OC(OC3C(O)OC(CO)C(O)C3O)C(O)C(O)C2O)OC(COC2OC(C(C)O)C(O)C2O)C(O)C1O