Glycoside
GD128817
Name:
NoneFormula:
C57H91O38N3Smiles:
CC1(C)C(=O)C(N=C(O)CN)NC1Cc1ccc(OC2OC(COC3OC(COC4OC(COC5OC(COC6OC(COC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)C(O)C(O)C6O)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)cc1Aglycone:
CC1(C)C(=O)C(N=C(O)CN)NC1Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(OCC2OC(OCC3OC(OCC4OC(OCC5OC(OCC6OC(OCC7OC(O)C(O)C(O)C7O)C(O)C(O)C6O)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 41 | RingCount: | 9 |
| HBD: | 26 | FractionCSP3: | 0.86 |
| AlogP: | -14.84 | Num_rotatable_bonds: | 25 |
| MolWt: | 1426.34 | Num_heavy_atoms: | 98 |
| TPSA: | 661.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD52179
Formula: C15H21O3N3
Smiles:
CC1(C)C(=O)C(N=C(O)CN)NC1Cc1ccc(O)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 291.35 | Num_heavy_atoms: | 21 |
| TPSA: | 107.94 | NumAromaticRings: | 1 |
Sugarmoiety
SD06999
OCC1OC(OCC2OC(OCC3OC(OCC4OC(OCC5OC(OCC6OC(OCC7OC(O)C(O)C(O)C7O)C(O)C(O)C6O)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O