Glycoside
GD027616
Name:
NoneFormula:
C23H28O7N2Smiles:
O=C(NCC(CNC(=O)c1ccccc1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1Aglycone:
O=C(NCCCNC(=O)c1ccccc1)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 444.48 | Num_heavy_atoms: | 32 |
| TPSA: | 148.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD18126
Formula: C17H18O2N2
Smiles:
O=C(NCCCNC(=O)c1ccccc1)c1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 282.34 | Num_heavy_atoms: | 21 |
| TPSA: | 58.2 | NumAromaticRings: | 2 |
