Glycoside
GD090689
Name:
NoneFormula:
C20H28O7N4Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccn3c(C4CCOCC4)nnc3c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1ccn2c(C3CCOCC3)nnc2c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 6 |
| MolWt: | 436.47 | Num_heavy_atoms: | 31 |
| TPSA: | 147.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD39467
Formula: C14H18O3N4
Smiles:
O=C(NCCO)c1ccn2c(C3CCOCC3)nnc2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 290.32 | Num_heavy_atoms: | 21 |
| TPSA: | 88.75 | NumAromaticRings: | 2 |
