Glycoside
GD036406
Name:
NoneFormula:
C18H29O4N7SSmiles:
CCCCNC(=O)[C@H](N)CCSC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCCCNC(=O)C(N)CCSC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 10 |
| MolWt: | 439.54 | Num_heavy_atoms: | 30 |
| TPSA: | 174.43 | 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 |
AD16464
Formula: C9H20ON2S
Smiles:
CCCCNC(=O)C(N)CCSC| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 7 |
| MolWt: | 204.34 | Num_heavy_atoms: | 13 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
