Glycoside
GD124315
Name:
NoneFormula:
C73H137O28NSmiles:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(OC2OC(COC3OC(C(C)O)C(O)C3O)C(OC3OC(COC4OC(C(C)O)C(O)C4O)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCCC(C)CCAglycone:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCC(C)CCSugarmoiety:
CC(O)C1OC(OCC2OC(OC3C(COC4OC(C(C)O)C(O)C4O)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 5 |
| HBD: | 18 | FractionCSP3: | 0.99 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 54 |
| MolWt: | 1476.88 | Num_heavy_atoms: | 102 |
| TPSA: | 468.8 | NumAromaticRings: | 0 |
Unique Aglycone
AD46146
Formula: C43H87O5N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCC(C)CC| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.98 |
| AlogP: | 11.94 | Num_rotatable_bonds: | 39 |
| MolWt: | 698.17 | Num_heavy_atoms: | 49 |
| TPSA: | 113.51 | NumAromaticRings: | 0 |
Sugarmoiety
SD06294
CC(O)C1OC(OCC2OC(OC3C(COC4OC(C(C)O)C(O)C4O)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C(O)C2O)C(O)C1O