Glycoside
GD098149
Name:
NoneFormula:
C17H25O4N7S2Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=S)NCCCSC)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.CSCCCNC(=S)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 455.57 | Num_heavy_atoms: | 30 |
| TPSA: | 146.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD41758
Formula: C10H13N6S2
Smiles:
CSCCCNC(=S)Nc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 281.39 | Num_heavy_atoms: | 18 |
| TPSA: | 76.3 | NumAromaticRings: | 1 |
