Glycoside
GD088248
Name:
NoneFormula:
C20H26O7N4Smiles:
Cn1cnc2c1[C@H](COCc1cccnc1)N(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2Aglycone:
Cn1cnc2c1C(COCc1cccnc1)NCC2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 9 |
| MolWt: | 434.45 | Num_heavy_atoms: | 31 |
| TPSA: | 158.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD38624
Formula: C14H18ON4
Smiles:
Cn1cnc2c1C(COCc1cccnc1)NCC2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.43 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 258.33 | Num_heavy_atoms: | 19 |
| TPSA: | 51.97 | NumAromaticRings: | 2 |
