Glycoside
GD138000
Name:
2-({1-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methoxyisoquinolin-7-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C24H25O9NSmiles:
COc1cc2ccnc(Cc3ccc4c(c3)OCO4)c2cc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc2ccnc(Cc3ccc4c(c3)OCO4)c2cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 471.46 | Num_heavy_atoms: | 34 |
| TPSA: | 139.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD55726
Formula: C18H15O4N
Smiles:
COc1cc2ccnc(Cc3ccc4c(c3)OCO4)c2cc1O| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 309.32 | Num_heavy_atoms: | 23 |
| TPSA: | 60.81 | NumAromaticRings: | 3 |
