Glycoside
GD081318
Name:
NoneFormula:
C17H28O9N2Smiles:
COCCN1CCO[C@H]2CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC[C@H]2C1=OAglycone:
COCCN1CCOC2CNCCC2C1=OSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | -3.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 404.42 | Num_heavy_atoms: | 28 |
| TPSA: | 157.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD36646
Formula: C11H20O3N2
Smiles:
COCCN1CCOC2CNCCC2C1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.91 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 228.29 | Num_heavy_atoms: | 16 |
| TPSA: | 50.8 | NumAromaticRings: | 0 |
