Glycoside
GD030343
Name:
NoneFormula:
C53H78O13N4Smiles:
COc1ccc(-n2cc(COC(=O)[C@@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@]6(C)CC[C@H](O[C@@H]7O[C@H](CO[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H](O)[C@H]7NC(C)=O)C(C)(C)[C@H]6CC[C@@]5(C)[C@@]3(C)CC4)nn2)cc1Aglycone:
COc1ccc(-n2cc(COC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C3(C)CC4)nn2)cc1Sugarmoiety:
CC(=O)NC1C(O)OC(COC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | 4.91 | Num_rotatable_bonds: | 11 |
| MolWt: | 979.22 | Num_heavy_atoms: | 70 |
| TPSA: | 233.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD19635
Formula: C40H57O4N3
Smiles:
COc1ccc(-n2cc(COC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C3(C)CC4)nn2)cc1| HBA: | 7 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.72 |
| AlogP: | 8.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 643.91 | Num_heavy_atoms: | 47 |
| TPSA: | 86.47 | NumAromaticRings: | 2 |
