Glycoside
GD001867
Name:
NoneFormula:
C26H29O5N6ISmiles:
OC[C@@H]1O[C@H](n2cnc3c(NCc4cccc(I)c4)nc(NCCOCc4ccccc4)nc32)[C@H](O)[C@H]1OAglycone:
Ic1cccc(CNc2nc(NCCOCc3ccccc3)nc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 11 |
| MolWt: | 632.46 | Num_heavy_atoms: | 38 |
| TPSA: | 146.81 | NumAromaticRings: | 4 |
Unique Aglycone
AD01827
Formula: C21H20ON6I
Smiles:
Ic1cccc(CNc2nc(NCCOCc3ccccc3)nc3c2N=C[N]3)c1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 4.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 499.34 | Num_heavy_atoms: | 29 |
| TPSA: | 85.53 | NumAromaticRings: | 3 |
