Glycoside
GD028114
Name:
NoneFormula:
C15H18O6N2Smiles:
OC[C@@H]1O[C@H](On2cnc(-c3ccccc3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
On1cnc(-c2ccccc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 322.32 | Num_heavy_atoms: | 23 |
| TPSA: | 117.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD18407
Formula: C9H8ON2
Smiles:
On1cnc(-c2ccccc2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 160.18 | Num_heavy_atoms: | 12 |
| TPSA: | 38.05 | NumAromaticRings: | 2 |
