Glycoside
GD133183
Name:
2-({6-[(3,4-dimethylphenyl)amino]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C20H31O10NSmiles:
Cc1ccc(NC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)cc1CAglycone:
Cc1ccc(N)cc1CSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.7 |
| AlogP: | -2.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 445.47 | Num_heavy_atoms: | 31 |
| TPSA: | 181.33 | NumAromaticRings: | 1 |
Unique Aglycone
AD23085
Formula: C8H11N
Smiles:
Cc1ccc(N)cc1C| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 0 |
| MolWt: | 121.18 | Num_heavy_atoms: | 9 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
