Glycoside
GD079254
Name:
NoneFormula:
C19H24O8N2Smiles:
O=C(NC[C@H]1O[C@@H](CC(=O)N2CCOCC2)[C@H](O)[C@@H]1O)c1ccc2c(c1)OCO2Aglycone:
CC(=O)N1CCOCC1.CNC(=O)c1ccc2c(c1)OCO2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 408.41 | Num_heavy_atoms: | 29 |
| TPSA: | 126.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD24899
Formula: C6H11O2N
Smiles:
CC(=O)N1CCOCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 129.16 | Num_heavy_atoms: | 9 |
| TPSA: | 29.54 | NumAromaticRings: | 0 |
AD36295
Formula: C9H9O3N
Smiles:
CNC(=O)c1ccc2c(c1)OCO2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 179.17 | Num_heavy_atoms: | 13 |
| TPSA: | 47.56 | NumAromaticRings: | 1 |
