Glycoside
GD016725
Name:
NoneFormula:
C54H80O12N4Smiles:
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)cc5C)nn4)CC[C@]23C)C1(C)CAglycone:
Cc1ccc(-n2cc(COC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C3(C)CC4)nn2)c(C)c1Sugarmoiety:
CC(=O)NC1C(O)OC(COC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | 5.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 977.25 | Num_heavy_atoms: | 70 |
| TPSA: | 224.18 | NumAromaticRings: | 2 |
Unique Aglycone
AD12005
Formula: C41H59O3N3
Smiles:
Cc1ccc(-n2cc(COC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C3(C)CC4)nn2)c(C)c1| HBA: | 6 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 9.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 641.94 | Num_heavy_atoms: | 47 |
| TPSA: | 77.24 | NumAromaticRings: | 2 |
