Glycoside
GD078974
Name:
NoneFormula:
C21H24O4N2ClSmiles:
O=C(C[C@@H]1O[C@H](C[NH2+]Cc2cccc(Cl)c2)[C@@H](O)[C@H]1O)Nc1ccccc1Aglycone:
CC(=O)Nc1ccccc1.C[NH2+]Cc1cccc(Cl)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 391.88 | Num_heavy_atoms: | 27 |
| TPSA: | 95.4 | NumAromaticRings: | 2 |
Unique Aglycone
AD19580
Formula: C8H9ON
Smiles:
CC(=O)Nc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD36253
Formula: C9H11NCl
Smiles:
C[NH2+]Cc1cccc(Cl)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 156.64 | Num_heavy_atoms: | 10 |
| TPSA: | 16.61 | NumAromaticRings: | 1 |
