Glycoside
GD138816
Name:
ethyl 3-(13-methoxy-12-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-15-oxatetracyclo[8.6.1.0²,â·.0¹â´,¹â·]heptadeca-1(16),10(17),11,13-tetraen-11-yl)propanoateFormula:
C28H38O10Smiles:
CCOC(=O)CCc1c(OC2OC(CO)C(O)C(O)C2O)c(OC)c2occ3c2c1CCC1CCCCC31Aglycone:
CCOC(=O)CCc1c(O)c(OC)c2occ3c2c1CCC1CCCCC31Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 534.6 | Num_heavy_atoms: | 38 |
| TPSA: | 148.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD56004
Formula: C22H28O5
Smiles:
CCOC(=O)CCc1c(O)c(OC)c2occ3c2c1CCC1CCCCC31| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.59 |
| AlogP: | 4.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 372.46 | Num_heavy_atoms: | 27 |
| TPSA: | 68.9 | NumAromaticRings: | 2 |
