Glycoside
GD081029
Name:
NoneFormula:
C19H26O6N4Smiles:
CC(=O)N[C@H]1[C@H](OCCn2cc(Cc3ccccc3)nn2)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
OCCn1cc(Cc2ccccc2)nn1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 406.44 | Num_heavy_atoms: | 29 |
| TPSA: | 138.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD36550
Formula: C11H13ON3
Smiles:
OCCn1cc(Cc2ccccc2)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 203.25 | Num_heavy_atoms: | 15 |
| TPSA: | 50.94 | NumAromaticRings: | 2 |
