Glycoside
GD028419
Name:
NoneFormula:
C20H32O8N8S3Smiles:
CSCC[C@H](N)C(=O)N[C@H](CCSC)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(CCSC)NC(=O)C(N)CCSC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | -2.28 | Num_rotatable_bonds: | 14 |
| MolWt: | 608.73 | Num_heavy_atoms: | 39 |
| TPSA: | 246.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD18565
Formula: C11H23O5N3S3
Smiles:
COS(=O)(=O)NC(=O)C(CCSC)NC(=O)C(N)CCSC| HBA: | 8 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 11 |
| MolWt: | 373.52 | Num_heavy_atoms: | 22 |
| TPSA: | 127.59 | NumAromaticRings: | 0 |
