Glycoside
GD095536
Name:
NoneFormula:
C22H26O8N3Smiles:
C[NH+](C)CCN1C(=O)c2cccc3cc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cc(c23)C1=OAglycone:
C[NH+](C)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=OSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | -2.84 | Num_rotatable_bonds: | 9 |
| MolWt: | 460.46 | Num_heavy_atoms: | 33 |
| TPSA: | 168.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD40762
Formula: C16H18O2N3
Smiles:
C[NH+](C)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 284.34 | Num_heavy_atoms: | 21 |
| TPSA: | 67.84 | NumAromaticRings: | 2 |
