Glycoside
GD125912
Name:
N-HydroxyrobustineFormula:
C50H81O20NSmiles:
CC1CCC2(OC3CC4C5CC=C6CC(OC7OC(CO)C(OC8OC(C)C(O)C(O)C8O)C(OC8OCC(O)C(O)C8O)C7OC7OC(C)C(O)C(O)C7O)CCC6(C)C5CCC4(C)C3C2C)N(O)C1Aglycone:
CC1CCC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)N(O)C1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 10 |
| HBD: | 11 | FractionCSP3: | 0.96 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 9 |
| MolWt: | 1016.19 | Num_heavy_atoms: | 71 |
| TPSA: | 308.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD50922
Formula: C27H43O3N
Smiles:
CC1CCC2(OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)N(O)C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 429.65 | Num_heavy_atoms: | 31 |
| TPSA: | 52.93 | NumAromaticRings: | 0 |
