Glycoside
GD130222
Name:
methyl 5-ethylidene-6-{2-oxo-2-[4-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)phenoxy]ethyl}-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-1-ene-1-carboxylateFormula:
C32H44O16Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)CC=C(C(=O)OC)C1CC(=O)Oc1ccc(CCOC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
CC=C1C(O)CC=C(C(=O)OC)C1CC(=O)Oc1ccc(CCO)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -2.41 | Num_rotatable_bonds: | 12 |
| MolWt: | 684.69 | Num_heavy_atoms: | 48 |
| TPSA: | 251.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD52773
Formula: C20H24O6
Smiles:
CC=C1C(O)CC=C(C(=O)OC)C1CC(=O)Oc1ccc(CCO)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 360.41 | Num_heavy_atoms: | 26 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
