Glycoside
GD142256
Name:
2-[3-(2-{[(3,4-dimethoxyphenyl)methyl]amino}ethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C23H31O8NSmiles:
COc1ccc(CNCCc2cccc(OC3OC(CO)C(O)C(O)C3O)c2)cc1OCAglycone:
COc1ccc(CNCCc2cccc(O)c2)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 10 |
| MolWt: | 449.5 | Num_heavy_atoms: | 32 |
| TPSA: | 129.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD57255
Formula: C17H21O3N
Smiles:
COc1ccc(CNCCc2cccc(O)c2)cc1OC| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 7 |
| MolWt: | 287.36 | Num_heavy_atoms: | 21 |
| TPSA: | 50.72 | NumAromaticRings: | 2 |
