Glycoside
GD095832
Name:
N-methyl-2-[(8-methyl-2-oxo-4-propyl-2H-chromen-7-yl)oxy]-N-(2,3,4,5,6-pentahydroxyhexyl)acetamideFormula:
C22H31O9NSmiles:
CCCc1cc(=O)oc2c(C)c(OCC(=O)N(C)C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)ccc12Aglycone:
CCCc1cc(=O)oc2c(C)c(OCC(=O)N(C)C)ccc12Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 11 |
| MolWt: | 453.49 | Num_heavy_atoms: | 32 |
| TPSA: | 160.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD40826
Formula: C17H21O4N
Smiles:
CCCc1cc(=O)oc2c(C)c(OCC(=O)N(C)C)ccc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.41 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 303.36 | Num_heavy_atoms: | 22 |
| TPSA: | 59.75 | NumAromaticRings: | 2 |
