Glycoside
GD101751
Name:
NoneFormula:
C19H28O6N6SSmiles:
CC[C@H](C)[C@H](NC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSC)[C@@H](O)[C@H]1O)C(=O)OCAglycone:
CCC(C)C(NC(=O)Nc1ncnc2c1N=C[N]2)C(=O)OCSugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 468.54 | Num_heavy_atoms: | 32 |
| TPSA: | 160.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD39769
Formula: C13H17O3N6
Smiles:
CCC(C)C(NC(=O)Nc1ncnc2c1N=C[N]2)C(=O)OC| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 305.32 | Num_heavy_atoms: | 22 |
| TPSA: | 119.67 | NumAromaticRings: | 1 |
