Glycoside
GD137014
Name:
NoneFormula:
C17H25O4N3Smiles:
O=C(CC1OC(CNCc2ccccn2)C(O)C1O)N1CCCC1Aglycone:
CC(=O)N1CCCC1.CNCc1ccccn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 335.4 | Num_heavy_atoms: | 24 |
| TPSA: | 94.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD20141
Formula: C7H10N2
Smiles:
CNCc1ccccn1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 24.92 | NumAromaticRings: | 1 |
AD26841
Formula: C6H11ON
Smiles:
CC(=O)N1CCCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.16 | Num_heavy_atoms: | 8 |
| TPSA: | 20.31 | NumAromaticRings: | 0 |
