Glycoside
GD037006
Name:
NoneFormula:
C17H21O5NSmiles:
COc1ccc(-c2cccn2C)cc1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
COc1ccc(-c2cccn2C)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 319.36 | Num_heavy_atoms: | 23 |
| TPSA: | 84.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD09947
Formula: C12H13ON
Smiles:
COc1ccc(-c2cccn2C)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 187.24 | Num_heavy_atoms: | 14 |
| TPSA: | 14.16 | NumAromaticRings: | 2 |
