Glycoside
GD017782
Name:
NoneFormula:
C41H67O11NSmiles:
C[C@@H]1O[C@H](O[C@@H]2[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(N)=O)CC[C@]45C)[C@@]3(C)CO)OC[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)CCC2(C(N)=O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 749.98 | Num_heavy_atoms: | 53 |
| TPSA: | 201.39 | NumAromaticRings: | 0 |
Unique Aglycone
AD12650
Formula: C30H49O3N
Smiles:
CC1(C)CCC2(C(N)=O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 471.73 | Num_heavy_atoms: | 34 |
| TPSA: | 83.55 | NumAromaticRings: | 0 |
