Glycoside
GD071501
Name:
NoneFormula:
C14H21O6N5SSmiles:
CC[C@H](C)S(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
CCC(C)S(=O)(=O)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 387.42 | Num_heavy_atoms: | 26 |
| TPSA: | 159.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD33604
Formula: C9H12O2N5S
Smiles:
CCC(C)S(=O)(=O)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 254.3 | Num_heavy_atoms: | 17 |
| TPSA: | 98.41 | NumAromaticRings: | 1 |
