Glycoside
GD097748
Name:
NoneFormula:
C22H25O6N5Smiles:
O=C(C(=O)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
c1cncc(-c2ccc3nc(C4CCNCC4)nn3c2)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 455.47 | Num_heavy_atoms: | 33 |
| TPSA: | 161.38 | NumAromaticRings: | 3 |
Unique Aglycone
AD41604
Formula: C16H17N5
Smiles:
c1cncc(-c2ccc3nc(C4CCNCC4)nn3c2)c1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 279.35 | Num_heavy_atoms: | 21 |
| TPSA: | 55.11 | NumAromaticRings: | 3 |
