Glycoside
GD102500
Name:
NoneFormula:
C21H26O6N6SSmiles:
COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=S)Nc3ccc(OC)cc3)ncnc21Aglycone:
COCCO.COc1ccc(NC(=S)Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 490.54 | Num_heavy_atoms: | 34 |
| TPSA: | 145.04 | NumAromaticRings: | 3 |
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 |
AD43383
Formula: C13H11ON6S
Smiles:
COc1ccc(NC(=S)Nc2ncnc3c2N=C[N]3)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 299.34 | Num_heavy_atoms: | 21 |
| TPSA: | 85.53 | NumAromaticRings: | 2 |
