Glycoside
GD097734
Name:
NoneFormula:
C21H24O8N3ClSmiles:
O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(CCCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2)C1Aglycone:
O=C(Nc1cccc(Cl)c1)C1=NOC2(CCCNC2)C1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 469.88 | Num_heavy_atoms: | 32 |
| TPSA: | 168.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD41605
Formula: C15H16O2N3Cl
Smiles:
O=C(Nc1cccc(Cl)c1)C1=NOC2(CCCNC2)C1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 293.75 | Num_heavy_atoms: | 20 |
| TPSA: | 62.72 | NumAromaticRings: | 1 |
