Glycoside
GD020499
Name:
NoneFormula:
C54H78O13N4Smiles:
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)O[C@H]1O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(C(=O)OCc4cn(-c5ccc(C(C)=O)cc5)nn4)CC[C@]23C)C1(C)CAglycone:
CC(=O)c1ccc(-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: | 0.76 |
| AlogP: | 5.11 | Num_rotatable_bonds: | 11 |
| MolWt: | 991.23 | Num_heavy_atoms: | 71 |
| TPSA: | 241.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD14149
Formula: C41H57O4N3
Smiles:
CC(=O)c1ccc(-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: | 0.71 |
| AlogP: | 8.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 655.92 | Num_heavy_atoms: | 48 |
| TPSA: | 94.31 | NumAromaticRings: | 2 |
