Glycoside
GD005543
Name:
NoneFormula:
C37H47O8NSmiles:
CC#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](c3ccc(N(C)CCCC4OC(C(=O)O)C(O)C(O)C4O)cc3)C[C@]21CAglycone:
CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(N(C)CCC)cc3)CC21CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 7 |
| MolWt: | 633.78 | Num_heavy_atoms: | 46 |
| TPSA: | 147.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD04698
Formula: C31H39O2N
Smiles:
CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(N(C)CCC)cc3)CC21C| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 6.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 457.66 | Num_heavy_atoms: | 34 |
| TPSA: | 40.54 | NumAromaticRings: | 1 |
