Glycoside
GD121988
Name:
2-(hydroxymethyl)-6-{4-[(5,6,7-trimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy}oxane-3,4,5-triolFormula:
C26H35O9NSmiles:
COc1cc2c(c(OC)c1OC)CCN(C)C2Cc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
COc1cc2c(c(OC)c1OC)CCN(C)C2Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 8 |
| MolWt: | 505.56 | Num_heavy_atoms: | 36 |
| TPSA: | 130.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD49127
Formula: C20H25O4N
Smiles:
COc1cc2c(c(OC)c1OC)CCN(C)C2Cc1ccc(O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 343.42 | Num_heavy_atoms: | 25 |
| TPSA: | 51.16 | NumAromaticRings: | 2 |
