Glycoside
GD032637
Name:
NoneFormula:
C22H22O5N6ClISmiles:
O=C([C@@H]1O[C@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@H]1O)N1CCOCC1Aglycone:
Clc1nc2c(c(NCc3cccc(I)c3)n1)N=C[N]2.O=CN1CCOCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 600.8 | Num_heavy_atoms: | 34 |
| TPSA: | 134.86 | 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 |
AD05370
Formula: C5H9O2N
Smiles:
O=CN1CCOCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 115.13 | Num_heavy_atoms: | 8 |
| TPSA: | 29.54 | NumAromaticRings: | 0 |
