Glycoside
GD020230
Name:
NoneFormula:
C19H18O5N6ClISmiles:
CONC(=O)[C@@H]1O[C@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
CONC=O.Clc1nc2c(c(NCc3cccc(I)c3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 560.74 | Num_heavy_atoms: | 31 |
| TPSA: | 143.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD00324
Formula: C13H8N5ClI
Smiles:
Clc1nc2c(c(NCc3cccc(I)c3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 384.59 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD04384
Formula: C2H5O2N
Smiles:
CONC=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 75.07 | Num_heavy_atoms: | 5 |
| TPSA: | 38.33 | NumAromaticRings: | 0 |
