Glycoside
GD025805
Name:
NoneFormula:
C27H24O7N6Smiles:
O=C(C=C[C@@H]1O[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](O)[C@H]1O)NCc1ccc2c(c1)OCO2Aglycone:
C=CC(=O)NCc1ccc2c(c1)OCO2.O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 544.52 | Num_heavy_atoms: | 40 |
| TPSA: | 169.95 | NumAromaticRings: | 4 |
Unique Aglycone
AD00783
Formula: C12H8ON5
Smiles:
O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.23 | Num_heavy_atoms: | 18 |
| TPSA: | 81.34 | NumAromaticRings: | 2 |
AD17076
Formula: C11H11O3N
Smiles:
C=CC(=O)NCc1ccc2c(c1)OCO2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 205.21 | Num_heavy_atoms: | 15 |
| TPSA: | 47.56 | NumAromaticRings: | 1 |
