Glycoside
GD009454
Name:
NoneFormula:
C27H30O4N7ISmiles:
OC[C@@H]1O[C@H](n2cnc3c(NCc4cccc(I)c4)nc(NCCC4CNc5ccccc54)nc32)[C@H](O)[C@H]1OAglycone:
Ic1cccc(CNc2nc(NCCC3CNc4ccccc43)nc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 643.49 | Num_heavy_atoms: | 39 |
| TPSA: | 149.61 | NumAromaticRings: | 4 |
Unique Aglycone
AD07409
Formula: C22H21N7I
Smiles:
Ic1cccc(CNc2nc(NCCC3CNc4ccccc43)nc3c2N=C[N]3)c1| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.23 |
| AlogP: | 4.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 510.36 | Num_heavy_atoms: | 30 |
| TPSA: | 88.33 | NumAromaticRings: | 3 |
