Glycoside
GD047284
Name:
NoneFormula:
C13H21O6N3Smiles:
COCCO[C@H]1[C@@H](O)[C@H](CO)O[C@H]1n1cc(C)c(N)nc1=OAglycone:
COCCO.Cc1c[nH]c(=O)nc1NSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 315.33 | Num_heavy_atoms: | 22 |
| TPSA: | 129.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD00384
Formula: C3H8O2
Smiles:
COCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
AD01886
Formula: C5H7ON3
Smiles:
Cc1c[nH]c(=O)nc1N| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
