Glycoside
GD001648
Name:
NoneFormula:
C23H28O8N3FSmiles:
O=C(O)c1cn(C2CC2)c2cc(N3CCN(C4OC(CO)C(O)C(O)C4O)CC3)c(F)cc2c1=OAglycone:
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 493.49 | Num_heavy_atoms: | 35 |
| TPSA: | 155.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD01631
Formula: C17H18O3N3F
Smiles:
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 331.35 | Num_heavy_atoms: | 24 |
| TPSA: | 74.57 | NumAromaticRings: | 2 |
