Glycoside
GD024872
Name:
NoneFormula:
C47H71O12NSmiles:
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(=O)Nc6ccccc6O)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(=O)Nc3ccccc3O)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: | 13 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.81 |
| AlogP: | 4.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 842.08 | Num_heavy_atoms: | 60 |
| TPSA: | 207.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD16558
Formula: C36H53O4N
Smiles:
CC1(C)CCC2(C(=O)Nc3ccccc3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 7.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 563.82 | Num_heavy_atoms: | 41 |
| TPSA: | 89.79 | NumAromaticRings: | 1 |
