Glycoside
GD032565
Name:
NoneFormula:
C15H21O10N7SSmiles:
Nc1nc2c(ncn2[C@@H]2O[C@H](COS(=O)(=O)NC(=O)[C@H](N)CCC(=O)O)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COS(=O)(=O)NC(=O)C(N)CCC(=O)O.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.53 |
| AlogP: | -4.11 | Num_rotatable_bonds: | 9 |
| MolWt: | 491.44 | Num_heavy_atoms: | 33 |
| TPSA: | 275.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD02893
Formula: C6H12O6N2S
Smiles:
COS(=O)(=O)NC(=O)C(N)CCC(=O)O| HBA: | 8 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 240.24 | Num_heavy_atoms: | 15 |
| TPSA: | 135.79 | NumAromaticRings: | 0 |
