Glycoside
GD102412
Name:
NoneFormula:
C16H21O6N4ISmiles:
CC[C@@H](C)OC(=O)Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CCC(C)OC(=O)Nc1ncnc2c1C(I)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.27 | Num_heavy_atoms: | 27 |
| TPSA: | 138.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD43344
Formula: C11H12O2N4I
Smiles:
CCC(C)OC(=O)Nc1ncnc2c1C(I)=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 359.15 | Num_heavy_atoms: | 18 |
| TPSA: | 78.21 | NumAromaticRings: | 1 |
