Glycoside
GD092129
Name:
NoneFormula:
C18H31O4N6SSmiles:
CC[NH+](CC)C[C@H](O)CNc1ncnc2c1ncn2[C@@H]1O[C@H](CSC)[C@@H](O)[C@H]1OAglycone:
CC[NH+](CC)CC(O)CNc1ncnc2c1N=C[N]2Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 10 |
| MolWt: | 427.55 | Num_heavy_atoms: | 29 |
| TPSA: | 129.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD40222
Formula: C12H20ON6
Smiles:
CC[NH+](CC)CC(O)CNc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 264.33 | Num_heavy_atoms: | 19 |
| TPSA: | 88.94 | NumAromaticRings: | 1 |
