Glycoside
GD017302
Name:
NoneFormula:
C53H75O12N5Smiles:
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#N)cc5)nn4)CC[C@]23C)C1(C)CAglycone:
CC1(C)CCC2(C(=O)OCc3cn(-c4ccc(C#N)cc4)nn3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC(=O)NC1C(O)OC(COC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | 4.78 | Num_rotatable_bonds: | 10 |
| MolWt: | 974.21 | Num_heavy_atoms: | 70 |
| TPSA: | 247.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD12360
Formula: C40H54O3N4
Smiles:
CC1(C)CCC2(C(=O)OCc3cn(-c4ccc(C#N)cc4)nn3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 7 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 8.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 638.9 | Num_heavy_atoms: | 47 |
| TPSA: | 101.03 | NumAromaticRings: | 2 |
