Glycoside
GD083288
Name:
NoneFormula:
C20H23O6N3ClSmiles:
O=C(C(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc23)CC1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
Clc1ccc2c(N3CCNCC3)cc[nH+]c2c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 424.86 | Num_heavy_atoms: | 29 |
| TPSA: | 135.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD37194
Formula: C14H15N3Cl
Smiles:
Clc1ccc2c(N3CCNCC3)cc[nH+]c2c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 1 |
| MolWt: | 248.74 | Num_heavy_atoms: | 17 |
| TPSA: | 29.41 | NumAromaticRings: | 2 |
