Glycoside
GD112888
Name:
NoneFormula:
C31H31O4N5Smiles:
Nc1ncnc2c1ncn2C[C@@H]1O[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1Aglycone:
Cn1cnc2c(N)ncnc21.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.26 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 11 |
| MolWt: | 537.62 | Num_heavy_atoms: | 40 |
| TPSA: | 106.54 | NumAromaticRings: | 5 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD08255
Formula: C6H7N5
Smiles:
Cn1cnc2c(N)ncnc21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.16 | Num_heavy_atoms: | 11 |
| TPSA: | 69.62 | NumAromaticRings: | 2 |
