Glycoside
GD000668
Name:
NoneFormula:
C21H21O4N5SSmiles:
NC(=O)c1ncn([C@@H]2O[C@H](CNCc3cccc4c3sc3ccccc34)[C@H](O)[C@H]2O)n1Aglycone:
CNCc1cccc2c1sc1ccccc12.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 439.5 | Num_heavy_atoms: | 31 |
| TPSA: | 135.52 | NumAromaticRings: | 4 |
Unique Aglycone
AD00218
Formula: C3H3ON4
Smiles:
NC(=O)C1=N[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
AD00721
Formula: C14H13NS
Smiles:
CNCc1cccc2c1sc1ccccc12| HBA: | 1 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 227.33 | Num_heavy_atoms: | 16 |
| TPSA: | 12.03 | NumAromaticRings: | 3 |
