Glycoside
GD036880
Name:
NoneFormula:
C36H55O8NSmiles:
CC1(C)CC[C@]2(C(=O)N[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(=O)C[C@]3(C)C(=CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1Aglycone:
CC1(C)CCC2(C(N)=O)C(=O)CC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 629.84 | Num_heavy_atoms: | 45 |
| TPSA: | 153.39 | NumAromaticRings: | 0 |
Unique Aglycone
AD23252
Formula: C30H45O3N
Smiles:
CC1(C)CCC2(C(N)=O)C(=O)CC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 6.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 467.69 | Num_heavy_atoms: | 34 |
| TPSA: | 77.23 | NumAromaticRings: | 0 |
