Glycoside
GD011688
Name:
NoneFormula:
C23H28O7N2Smiles:
O=C(c1cccc(-c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c1)N1CCNCC1Aglycone:
O=C(c1cccc(-c2ccc(O)cc2)c1)N1CCNCC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.48 | Num_heavy_atoms: | 32 |
| TPSA: | 131.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD08901
Formula: C17H18O2N2
Smiles:
O=C(c1cccc(-c2ccc(O)cc2)c1)N1CCNCC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 282.34 | Num_heavy_atoms: | 21 |
| TPSA: | 52.57 | NumAromaticRings: | 2 |
