Glycoside
GD033049
Name:
NoneFormula:
C16H20O7N2Smiles:
O=C(O)[C@@H]1O[C@H](OC2=NN(c3ccccc3)CCC2)[C@H](O)[C@H](O)[C@H]1OAglycone:
OC1=NN(c2ccccc2)CCC1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 352.34 | Num_heavy_atoms: | 25 |
| TPSA: | 132.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD21123
Formula: C10H12ON2
Smiles:
OC1=NN(c2ccccc2)CCC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.22 | Num_heavy_atoms: | 13 |
| TPSA: | 35.83 | NumAromaticRings: | 1 |
