Glycoside
GD116198
Name:
NoneFormula:
C45H75O18NSmiles:
CC1CNC2(OC3CC4C5CCC6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)C(O)C7O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1Aglycone:
CC1CNC2(OC3CC4C5CCC6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1Sugarmoiety:
OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 918.08 | Num_heavy_atoms: | 64 |
| TPSA: | 299.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD46102
Formula: C27H45O3N
Smiles:
CC1CNC2(OC3CC4C5CCC6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 431.66 | Num_heavy_atoms: | 31 |
| TPSA: | 61.72 | NumAromaticRings: | 0 |
