Glycoside
GD095359
Name:
NoneFormula:
C17H24O7N6SSmiles:
COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=S)NCC(=O)OC)ncnc21Aglycone:
COC(=O)CNC(=S)Nc1ncnc2c1N=C[N]2.COCCOSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 9 |
| MolWt: | 456.48 | Num_heavy_atoms: | 31 |
| TPSA: | 162.11 | NumAromaticRings: | 2 |
Unique Aglycone
AD00384
Formula: C3H8O2
Smiles:
COCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
AD34718
Formula: C9H9O2N6S
Smiles:
COC(=O)CNC(=S)Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 265.28 | Num_heavy_atoms: | 18 |
| TPSA: | 102.6 | NumAromaticRings: | 1 |
