Glycoside
GD061078
Name:
NoneFormula:
C17H23O5N3Smiles:
O[C@@H]1[C@@H](O)[C@H](O)O[C@H](Cn2cc(CCCc3ccccc3)nn2)[C@@H]1OAglycone:
Cn1cc(CCCc2ccccc2)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 349.39 | Num_heavy_atoms: | 25 |
| TPSA: | 120.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD15315
Formula: C12H15N3
Smiles:
Cn1cc(CCCc2ccccc2)nn1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 201.27 | Num_heavy_atoms: | 15 |
| TPSA: | 30.71 | NumAromaticRings: | 2 |
