Glycoside
GD004091
Name:
NoneFormula:
C25H30O6N4Cl2Smiles:
Nc1ccn([C@@H]2O[C@H](COC(=O)CCCc3ccc(N(CCCl)CCCl)cc3)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COC(=O)CCCc1ccc(N(CCCl)CCCl)cc1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 12 |
| MolWt: | 529.42 | Num_heavy_atoms: | 35 |
| TPSA: | 140.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD03626
Formula: C17H21O2NCl2
Smiles:
COC(=O)CCCc1ccc(N(CCCl)CCCl)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 318.24 | Num_heavy_atoms: | 20 |
| TPSA: | 29.54 | NumAromaticRings: | 1 |
