Glycoside
GD000033
Name:
NoneFormula:
C16H20O5N5ClSmiles:
C[C@]1(O)[C@H](O)[C@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc21Aglycone:
Clc1nc2c(c(NC3CCOC3)n1)N=C[N]2Sugarmoiety:
CC1(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 385.81 | Num_heavy_atoms: | 26 |
| TPSA: | 134.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD00046
Formula: C10H9ON5Cl
Smiles:
Clc1nc2c(c(NC3CCOC3)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.66 | Num_heavy_atoms: | 16 |
| TPSA: | 73.5 | NumAromaticRings: | 1 |
