Glycoside
GD091715
Name:
NoneFormula:
C21H28O6N4Smiles:
CC(=O)N[C@H]1[C@H](OCCn2cc(C3(c4ccccc4)CC3)nn2)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
OCCn1cc(C2(c3ccccc3)CC2)nn1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 432.48 | Num_heavy_atoms: | 31 |
| TPSA: | 138.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD39996
Formula: C13H15ON3
Smiles:
OCCn1cc(C2(c3ccccc3)CC2)nn1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 229.28 | Num_heavy_atoms: | 17 |
| TPSA: | 50.94 | NumAromaticRings: | 2 |
