Glycoside
GD035010
Name:
NoneFormula:
C17H23O7N7S2Smiles:
C#Cc1nc(N)c2ncn(C3O[C@H](COS(=O)(=O)NC(=O)[C@H](N)CCSC)[C@H](O)[C@H]3O)c2n1Aglycone:
C#Cc1nc(N)c2c(n1)[N]C=N2.COS(=O)(=O)NC(=O)C(N)CCSCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -2.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 501.55 | Num_heavy_atoms: | 33 |
| TPSA: | 217.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD00049
Formula: C7H4N5
Smiles:
C#Cc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 158.14 | Num_heavy_atoms: | 12 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD08879
Formula: C6H14O4N2S2
Smiles:
COS(=O)(=O)NC(=O)C(N)CCSC| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 242.32 | Num_heavy_atoms: | 14 |
| TPSA: | 98.49 | NumAromaticRings: | 0 |
