Glycoside
GD015602
Name:
NoneFormula:
C34H50O16N4Smiles:
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCC=CCOC(=O)NCc1cccc(CNC(=O)OCC=CCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)c1Aglycone:
O=C(NCc1cccc(CNC(=O)OCC=CCO)c1)OCC=CCOSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O.CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.59 |
| AlogP: | -2.83 | Num_rotatable_bonds: | 18 |
| MolWt: | 770.79 | Num_heavy_atoms: | 54 |
| TPSA: | 293.16 | NumAromaticRings: | 1 |
Unique Aglycone
AD11323
Formula: C18H24O6N2
Smiles:
O=C(NCc1cccc(CNC(=O)OCC=CCO)c1)OCC=CCO| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 10 |
| MolWt: | 364.4 | Num_heavy_atoms: | 26 |
| TPSA: | 117.12 | NumAromaticRings: | 1 |
