Glycoside
GD057214
Name:
NoneFormula:
C16H21O5N3Smiles:
O[C@@H]1[C@@H](O)[C@H](O)O[C@H](Cn2cc(CCc3ccccc3)nn2)[C@@H]1OAglycone:
Cn1cc(CCc2ccccc2)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 335.36 | Num_heavy_atoms: | 24 |
| TPSA: | 120.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD19179
Formula: C11H13N3
Smiles:
Cn1cc(CCc2ccccc2)nn1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.27 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 187.25 | Num_heavy_atoms: | 14 |
| TPSA: | 30.71 | NumAromaticRings: | 2 |
