Glycoside
GD006016
Name:
NoneFormula:
C25H23O6N3Cl2Smiles:
O=c1ccn([C@@H]2O[C@H](CNCc3ccccc3OCc3ccc(Cl)cc3Cl)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
CNCc1ccccc1OCc1ccc(Cl)cc1Cl.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 8 |
| MolWt: | 508.36 | Num_heavy_atoms: | 34 |
| TPSA: | 125.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD05017
Formula: C17H15ONCl2
Smiles:
CNCc1ccccc1OCc1ccc(Cl)cc1Cl| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 4.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 296.2 | Num_heavy_atoms: | 19 |
| TPSA: | 21.26 | NumAromaticRings: | 2 |
