Glycoside
GD131949
Name:
DemissineFormula:
C50H83O20NSmiles:
CC1CCC2C(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)N2C1Aglycone:
CC1CCC2C(C)C3C(CC4C5CCC6CC(O)CCC6(C)C5CCC43C)N2C1Sugarmoiety:
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: | 21 | RingCount: | 10 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 11 |
| MolWt: | 1018.2 | Num_heavy_atoms: | 71 |
| TPSA: | 319.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD52431
Formula: C27H45ON
Smiles:
CC1CCC2C(C)C3C(CC4C5CCC6CC(O)CCC6(C)C5CCC43C)N2C1| HBA: | 2 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.73 | Num_rotatable_bonds: | 0 |
| MolWt: | 399.66 | Num_heavy_atoms: | 29 |
| TPSA: | 23.47 | NumAromaticRings: | 0 |
