Glycoside
GD101021
Name:
NoneFormula:
C20H30O6N6SSmiles:
CCOC(=O)CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC(C)C)[C@@H](O)[C@H]1OAglycone:
CCOC(=O)CCNC(=O)Nc1ncnc2c1N=C[N]2.CSCC(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 10 |
| MolWt: | 482.56 | Num_heavy_atoms: | 33 |
| TPSA: | 160.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD00748
Formula: C5H12S
Smiles:
CSCC(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 104.22 | Num_heavy_atoms: | 6 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD36918
Formula: C11H13O3N6
Smiles:
CCOC(=O)CCNC(=O)Nc1ncnc2c1N=C[N]2| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 277.26 | Num_heavy_atoms: | 20 |
| TPSA: | 119.67 | NumAromaticRings: | 1 |
