Glycoside
GD002576
Name:
NoneFormula:
C21H23O6N3Smiles:
Cc1ccc(-c2nc3ccccc3c(=O)n2NCC2(O)OCC(O)C(O)C2O)cc1Aglycone:
CNn1c(-c2ccc(C)cc2)nc2ccccc2c1=OSugarmoiety:
OC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 413.43 | Num_heavy_atoms: | 30 |
| TPSA: | 137.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD02444
Formula: C16H15ON3
Smiles:
CNn1c(-c2ccc(C)cc2)nc2ccccc2c1=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 265.32 | Num_heavy_atoms: | 20 |
| TPSA: | 46.92 | NumAromaticRings: | 3 |
