Glycoside
GD127064
Name:
ethyl 3-[5-(hydroxymethyl)-11-methoxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-oxatricyclo[6.3.1.0â´,¹²]dodeca-1(11),3,8(12),9-tetraen-9-yl]propanoateFormula:
C24H32O11Smiles:
CCOC(=O)CCc1c(OC2OC(CO)C(O)C(O)C2O)c(OC)c2occ3c2c1CCC3COAglycone:
CCOC(=O)CCc1c(O)c(OC)c2occ3c2c1CCC3COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 496.51 | Num_heavy_atoms: | 35 |
| TPSA: | 168.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD51437
Formula: C18H22O6
Smiles:
CCOC(=O)CCc1c(O)c(OC)c2occ3c2c1CCC3CO| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 334.37 | Num_heavy_atoms: | 24 |
| TPSA: | 89.13 | NumAromaticRings: | 2 |
