Glycoside
GD027814
Name:
NoneFormula:
C20H16O4N6ClISmiles:
O[C@@H]1C(n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)O[C@H](c2ccon2)[C@H]1OAglycone:
Clc1nc2c(c(NCc3cccc(I)c3)n1)N=C[N]2.c1cnoc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 554.73 | Num_heavy_atoms: | 31 |
| TPSA: | 131.35 | NumAromaticRings: | 4 |
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 |
AD04101
Formula: C3H3ON
Smiles:
c1cnoc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 0 |
| MolWt: | 69.06 | Num_heavy_atoms: | 5 |
| TPSA: | 26.03 | NumAromaticRings: | 1 |
