Glycoside
GD151394
Name:
methyl 1-hydroxy-3-(3-methylbut-2-en-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-2-carboxylateFormula:
C23H28O9Smiles:
COC(=O)c1c(CC=C(C)C)c(OC2OC(CO)C(O)C(O)C2O)c2ccccc2c1OAglycone:
COC(=O)c1c(CC=C(C)C)c(O)c2ccccc2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.47 | Num_heavy_atoms: | 32 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD10332
Formula: C17H18O4
Smiles:
COC(=O)c1c(CC=C(C)C)c(O)c2ccccc2c1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 3.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.33 | Num_heavy_atoms: | 21 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
