Glycoside
GD033285
Name:
NoneFormula:
C20H29O4N9SSmiles:
Cc1cc(CNC(=O)[C@H](N)CCSC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)n(C)n1Aglycone:
CSCCC(N)C(=O)NCc1cc(C)nn1C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 491.58 | Num_heavy_atoms: | 34 |
| TPSA: | 192.25 | 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 |
AD21262
Formula: C11H20ON4S
Smiles:
CSCCC(N)C(=O)NCc1cc(C)nn1C| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 256.38 | Num_heavy_atoms: | 17 |
| TPSA: | 72.94 | NumAromaticRings: | 1 |
