Glycoside
GD101572
Name:
NoneFormula:
C21H26O6N6Smiles:
COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=O)NCc3ccccc3)ncnc21Aglycone:
COCCO.O=C(NCc1ccccc1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 9 |
| MolWt: | 458.48 | Num_heavy_atoms: | 33 |
| TPSA: | 152.88 | 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 |
AD11604
Formula: C13H11ON6
Smiles:
O=C(NCc1ccccc1)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 267.27 | Num_heavy_atoms: | 20 |
| TPSA: | 93.37 | NumAromaticRings: | 2 |
