Glycoside
GD119192
Name:
3,4,5-trihydroxy-6-(4-{2-hydroxy-3-[methyl(2-{9-oxatricyclo[9.4.0.0³,â¸]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}ethyl)amino]propoxy}phenoxy)oxane-2-carboxylic acidFormula:
C32H37O10NSmiles:
CN(CCC1c2ccccc2COc2ccccc21)CC(O)COc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1Aglycone:
CN(CCC1c2ccccc2COc2ccccc21)CC(O)COc1ccc(O)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 11 |
| MolWt: | 595.65 | Num_heavy_atoms: | 43 |
| TPSA: | 158.38 | NumAromaticRings: | 3 |
Unique Aglycone
AD47713
Formula: C26H29O4N
Smiles:
CN(CCC1c2ccccc2COc2ccccc21)CC(O)COc1ccc(O)cc1| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 419.52 | Num_heavy_atoms: | 31 |
| TPSA: | 62.16 | NumAromaticRings: | 3 |
