Glycoside
GD064690
Name:
NoneFormula:
C16H24O7N2Smiles:
CCn1cccc(C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c1=OAglycone:
CCn1cccc(C(=O)NCCO)c1=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 356.38 | Num_heavy_atoms: | 25 |
| TPSA: | 130.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD31135
Formula: C10H14O3N2
Smiles:
CCn1cccc(C(=O)NCCO)c1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 210.23 | Num_heavy_atoms: | 15 |
| TPSA: | 71.33 | NumAromaticRings: | 1 |
