Glycoside
GD153512
Name:
methyl 4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-1-hydroxy-3-(3-methylbut-2-en-1-yl)naphthalene-2-carboxylateFormula:
C22H26O8Smiles:
COC(=O)c1c(CC=C(C)C)c(OC2OCC(O)(CO)C2O)c2ccccc2c1OAglycone:
COC(=O)c1c(CC=C(C)C)c(O)c2ccccc2c1OSugarmoiety:
OCC1(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.44 | Num_heavy_atoms: | 30 |
| TPSA: | 125.68 | 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 |
