Glycoside
GD076249
Name:
NoneFormula:
C17H22O6N4Smiles:
N#Cc1ccc(N2CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2)nc1Aglycone:
N#Cc1ccc(N2CCCNCC2)nc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 378.39 | Num_heavy_atoms: | 27 |
| TPSA: | 158.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD35194
Formula: C11H14N4
Smiles:
N#Cc1ccc(N2CCCNCC2)nc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 202.26 | Num_heavy_atoms: | 15 |
| TPSA: | 51.95 | NumAromaticRings: | 1 |
