Glycoside
GD018544
Name:
NoneFormula:
C16H28O4N2Smiles:
C=CCNC(=O)[C@@H]1O[C@H](CNC2CCCCCC2)[C@H](O)[C@H]1OAglycone:
C=CCNC=O.CNC1CCCCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.81 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 312.41 | Num_heavy_atoms: | 22 |
| TPSA: | 90.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD03159
Formula: C8H17N
Smiles:
CNC1CCCCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 127.23 | Num_heavy_atoms: | 9 |
| TPSA: | 12.03 | NumAromaticRings: | 0 |
AD05038
Formula: C4H7ON
Smiles:
C=CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 85.11 | Num_heavy_atoms: | 6 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
