Glycoside
GD033455
Name:
NoneFormula:
C16H20O4N5ISmiles:
C[C@@H]1O[C@H](n2cc(I)c3c(NCC(=O)NC4CC4)ncnc32)[C@H](O)[C@H]1OAglycone:
O=C(CNc1ncnc2c1C(I)=C[N]2)NC1CC1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 473.27 | Num_heavy_atoms: | 26 |
| TPSA: | 121.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD21352
Formula: C11H11ON5I
Smiles:
O=C(CNc1ncnc2c1C(I)=C[N]2)NC1CC1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 356.15 | Num_heavy_atoms: | 18 |
| TPSA: | 81.01 | NumAromaticRings: | 1 |
