Glycoside
GD002190
Name:
NoneFormula:
C40H70O12NSmiles:
C#CC[N+](C)(C)C1CC(C)OC(O[C@@H]2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)[C@@](C)(O)[C@H](O)[C@H](C)C3O[C@@]2(C)C[C@H]3C)C1OAglycone:
C#CC[N+](C)(C)C1CC(C)OC(OC2C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C3OC2(C)CC3C)C1OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 757.0 | Num_heavy_atoms: | 53 |
| TPSA: | 162.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD02120
Formula: C32H56O9N
Smiles:
C#CC[N+](C)(C)C1CC(C)OC(OC2C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C3OC2(C)CC3C)C1O| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 598.8 | Num_heavy_atoms: | 42 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
