Glycoside
GD095369
Name:
NoneFormula:
C18H26O7N6SSmiles:
COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=S)NCCC(=O)OC)ncnc21Aglycone:
COC(=O)CCNC(=S)Nc1ncnc2c1N=C[N]2.COCCOSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 10 |
| MolWt: | 470.51 | Num_heavy_atoms: | 32 |
| 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 |
AD37008
Formula: C10H11O2N6S
Smiles:
COC(=O)CCNC(=S)Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 279.31 | Num_heavy_atoms: | 19 |
| TPSA: | 102.6 | NumAromaticRings: | 1 |
