Glycoside
GD140395
Name:
NoneFormula:
C52H85O24NSmiles:
CC(=O)OC1C(C)CNC2C(C)C3C(CC4C5CCC6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8OC8OC(CO)C(O)C(O)C8O)C(O)C7O)CCC6(C)C5CCC43C)OC21OAglycone:
CC(=O)OC1C(C)CNC2C(C)C3C(CC4C5CCC6CC(O)CCC6(C)C5CCC43C)OC21OSugarmoiety:
OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 10 |
| HBD: | 14 | FractionCSP3: | 0.98 |
| AlogP: | -4.18 | Num_rotatable_bonds: | 12 |
| MolWt: | 1108.24 | Num_heavy_atoms: | 77 |
| TPSA: | 384.39 | NumAromaticRings: | 0 |
Unique Aglycone
AD56612
Formula: C29H47O5N
Smiles:
CC(=O)OC1C(C)CNC2C(C)C3C(CC4C5CCC6CC(O)CCC6(C)C5CCC43C)OC21O| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 3.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 489.7 | Num_heavy_atoms: | 35 |
| TPSA: | 88.02 | NumAromaticRings: | 0 |
