Glycoside
GD079247
Name:
NoneFormula:
C18H31O7N3Smiles:
COC[C@H]1CCCN1C(=O)C[C@@H]1O[C@H](CNC(=O)N2CCOCC2)[C@@H](O)[C@H]1OAglycone:
CNC(=O)N1CCOCC1.COCC1CCCN1C(C)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 401.46 | Num_heavy_atoms: | 28 |
| TPSA: | 120.8 | NumAromaticRings: | 0 |
Unique Aglycone
AD23210
Formula: C8H15O2N
Smiles:
COCC1CCCN1C(C)=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.88 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 157.21 | Num_heavy_atoms: | 11 |
| TPSA: | 29.54 | NumAromaticRings: | 0 |
AD30365
Formula: C6H12O2N2
Smiles:
CNC(=O)N1CCOCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 144.17 | Num_heavy_atoms: | 10 |
| TPSA: | 41.57 | NumAromaticRings: | 0 |
