Glycoside
GD016223
Name:
NoneFormula:
C19H30O5N6SSmiles:
CC(C)CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@H](O)[C@H]1OAglycone:
CC(C)CCNc1ncnc2c1N=C[N]2.CSCCC(N)C(=O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 11 |
| MolWt: | 454.55 | Num_heavy_atoms: | 31 |
| TPSA: | 168.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD01546
Formula: C5H11O2NS
Smiles:
CSCCC(N)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 149.22 | Num_heavy_atoms: | 9 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
AD11710
Formula: C10H14N5
Smiles:
CC(C)CCNc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 204.26 | Num_heavy_atoms: | 15 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
