Glycoside
GD140445
Name:
methyl 1,4-dihydroxy-3-(3-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)naphthalene-2-carboxylateFormula:
C23H30O10Smiles:
COC(=O)c1c(CCC(C)(C)OC2OC(CO)C(O)C(O)C2O)c(O)c2ccccc2c1OAglycone:
COC(=O)c1c(CCC(C)(C)O)c(O)c2ccccc2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 466.48 | Num_heavy_atoms: | 33 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD56631
Formula: C17H20O5
Smiles:
COC(=O)c1c(CCC(C)(C)O)c(O)c2ccccc2c1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 304.34 | Num_heavy_atoms: | 22 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
