Glycoside
GD112566
Name:
NoneFormula:
C39H60O10N2Smiles:
CC(C)C[NH+](Cc1c(O)c(C[NH+](CC(C)C)CC(C)C)c2occ(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)c(=O)c2c1O)CC(C)CAglycone:
CC(C)C[NH+](Cc1c(O)c(C[NH+](CC(C)C)CC(C)C)c2occ(-c3ccc(O)cc3)c(=O)c2c1O)CC(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 16 |
| MolWt: | 716.91 | Num_heavy_atoms: | 51 |
| TPSA: | 178.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD44778
Formula: C33H50O5N2
Smiles:
CC(C)C[NH+](Cc1c(O)c(C[NH+](CC(C)C)CC(C)C)c2occ(-c3ccc(O)cc3)c(=O)c2c1O)CC(C)C| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 13 |
| MolWt: | 554.77 | Num_heavy_atoms: | 40 |
| TPSA: | 99.78 | NumAromaticRings: | 3 |
