Glycoside
GD012475
Name:
NoneFormula:
C24H24O6N6Smiles:
O=C(NC[C@@H]1OC(n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@H]1O)c1cc(O)cc(O)c1Aglycone:
C1=Nc2c(ncnc2NCc2ccccc2)[N]1.CNC(=O)c1cc(O)cc(O)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.25 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 492.49 | Num_heavy_atoms: | 36 |
| TPSA: | 174.88 | NumAromaticRings: | 4 |
Unique Aglycone
AD01429
Formula: C12H10N5
Smiles:
C1=Nc2c(ncnc2NCc2ccccc2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 224.25 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD09402
Formula: C8H9O3N
Smiles:
CNC(=O)c1cc(O)cc(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 167.16 | Num_heavy_atoms: | 12 |
| TPSA: | 69.56 | NumAromaticRings: | 1 |
