Glycoside
GD102809
Name:
NoneFormula:
C24H21O6N5Smiles:
O=C(Nc1ncnc2c1[nH]c(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C1c2ccccc2-c2ccccc21Aglycone:
O=C(Nc1ncnc2[nH]c(=O)[nH]c12)C1c2ccccc2-c2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 475.46 | Num_heavy_atoms: | 35 |
| TPSA: | 162.59 | NumAromaticRings: | 4 |
Unique Aglycone
AD43520
Formula: C19H13O2N5
Smiles:
O=C(Nc1ncnc2[nH]c(=O)[nH]c12)C1c2ccccc2-c2ccccc21| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 343.35 | Num_heavy_atoms: | 26 |
| TPSA: | 103.53 | NumAromaticRings: | 4 |
