Glycoside
GD090889
Name:
NoneFormula:
C22H30O6N4Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2CCCN(c3ncnc4ccccc34)C2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C1CCCN(c2ncnc3ccccc23)C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.5 | Num_heavy_atoms: | 32 |
| TPSA: | 137.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD39572
Formula: C16H20O2N4
Smiles:
O=C(NCCO)C1CCCN(c2ncnc3ccccc23)C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 300.36 | Num_heavy_atoms: | 22 |
| TPSA: | 78.35 | NumAromaticRings: | 2 |
