Glycoside
GD008543
Name:
NoneFormula:
C20H29O5N9SSmiles:
COCc1cc(CNC(=O)[C@H](N)CCSC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)n[nH]1Aglycone:
COCc1cc(CNC(=O)C(N)CCSC)n[nH]1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 11 |
| MolWt: | 507.58 | Num_heavy_atoms: | 35 |
| TPSA: | 212.34 | NumAromaticRings: | 3 |
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 |
AD06815
Formula: C11H20O2N4S
Smiles:
COCc1cc(CNC(=O)C(N)CCSC)n[nH]1| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 272.37 | Num_heavy_atoms: | 18 |
| TPSA: | 93.03 | NumAromaticRings: | 1 |
