Glycoside
GD141572
Name:
2-[(6,7-dihydroxy-1,1-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]oxane-2,3,4,5-tetrolFormula:
C17H25O7NSmiles:
CC1(C)c2cc(O)c(O)cc2CCN1CC1(O)OCC(O)C(O)C1OAglycone:
CN1CCc2cc(O)c(O)cc2C1(C)CSugarmoiety:
OC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 355.39 | Num_heavy_atoms: | 25 |
| TPSA: | 133.85 | NumAromaticRings: | 1 |
Unique Aglycone
AD57020
Formula: C12H17O2N
Smiles:
CN1CCc2cc(O)c(O)cc2C1(C)C| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 0 |
| MolWt: | 207.27 | Num_heavy_atoms: | 15 |
| TPSA: | 43.7 | NumAromaticRings: | 1 |
