Glycoside
GD088153
Name:
NoneFormula:
C22H27O7N3Smiles:
Cc1cccc(Cn2c3c(ccc2=O)C[C@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC3)n1Aglycone:
Cc1cccc(Cn2c3c(ccc2=O)CC(N)CC3)n1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 8 |
| MolWt: | 445.47 | Num_heavy_atoms: | 32 |
| TPSA: | 161.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD38598
Formula: C16H19ON3
Smiles:
Cc1cccc(Cn2c3c(ccc2=O)CC(N)CC3)n1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 269.35 | Num_heavy_atoms: | 20 |
| TPSA: | 60.91 | NumAromaticRings: | 2 |
