Glycoside
GD089035
Name:
NoneFormula:
C21H28O7N4Smiles:
N#Cc1cccc(N2CCOC[C@]3(CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C3)C2)n1Aglycone:
N#Cc1cccc(N2CCOCC3(CCCNC3)C2)n1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.48 | Num_heavy_atoms: | 32 |
| TPSA: | 167.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD38909
Formula: C15H20ON4
Smiles:
N#Cc1cccc(N2CCOCC3(CCCNC3)C2)n1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.35 | Num_heavy_atoms: | 20 |
| TPSA: | 61.18 | NumAromaticRings: | 1 |
