Glycoside
GD129456
Name:
NoneFormula:
C58H95O29NSmiles:
CC(=O)OC1CC(COC2OC(CO)C(O)C(O)C2O)CNC12OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(OC8OCC(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2CAglycone:
CC(=O)OC1CC(CO)CNC12OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 11 |
| HBD: | 17 | FractionCSP3: | 0.98 |
| AlogP: | -6.36 | Num_rotatable_bonds: | 16 |
| MolWt: | 1270.38 | Num_heavy_atoms: | 88 |
| TPSA: | 463.54 | NumAromaticRings: | 0 |
Unique Aglycone
AD03629
Formula: C29H47O5N
Smiles:
CC(=O)OC1CC(CO)CNC12OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 3.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 489.7 | Num_heavy_atoms: | 35 |
| TPSA: | 88.02 | NumAromaticRings: | 0 |
Sugarmoiety
SD07085
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O