Glycoside
GD029436
Name:
NoneFormula:
C36H59O8NSmiles:
CC1(C)CC[C@@]2(C(=O)N[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)C[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](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: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 633.87 | Num_heavy_atoms: | 45 |
| TPSA: | 159.71 | NumAromaticRings: | 0 |
Unique Aglycone
AD07223
Formula: C30H49O3N
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: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 5.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 471.73 | Num_heavy_atoms: | 34 |
| TPSA: | 83.55 | NumAromaticRings: | 0 |
