Glycoside
GD037399
Name:
NoneFormula:
C54H84O15N2Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](CO)O[C@@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(C(=O)NCc6ccccn6)CC[C@]45C)C3(C)C)[C@@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)CCC2(C(=O)NCc3ccccn3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.85 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 10 |
| MolWt: | 1001.27 | Num_heavy_atoms: | 71 |
| TPSA: | 259.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD23564
Formula: C36H54O2N2
Smiles:
CC1(C)CCC2(C(=O)NCc3ccccn3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 7.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 546.84 | Num_heavy_atoms: | 40 |
| TPSA: | 62.22 | NumAromaticRings: | 1 |
