Glycoside
GD033525
Name:
NoneFormula:
C36H60O8N2Smiles:
CC(C)=CCC[C@@](C)(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)[C@H]1C(=NO)C[C@@H]1[C@]3(C)CCC(=NO)C(C)(C)[C@H]3CC[C@]12CAglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(=NO)CC1C3(C)CCC(=NO)C(C)(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 5.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 648.88 | Num_heavy_atoms: | 46 |
| TPSA: | 164.56 | NumAromaticRings: | 0 |
Unique Aglycone
AD21391
Formula: C30H50O3N2
Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(=NO)CC1C3(C)CCC(=NO)C(C)(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 7.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 486.74 | Num_heavy_atoms: | 35 |
| TPSA: | 85.41 | NumAromaticRings: | 0 |
