Glycoside
GD061072
Name:
NoneFormula:
C17H21O5N3Smiles:
O[C@H]1O[C@H](Cn2cc(C3(c4ccccc4)CC3)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cn1cc(C2(c3ccccc3)CC2)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 347.37 | Num_heavy_atoms: | 25 |
| TPSA: | 120.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD29985
Formula: C12H13N3
Smiles:
Cn1cc(C2(c3ccccc3)CC2)nn1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 199.26 | Num_heavy_atoms: | 15 |
| TPSA: | 30.71 | NumAromaticRings: | 2 |
