Glycoside
GD114159
Name:
methyl 3-ethylidene-4-{2-[4-(2-{[5-({2-[3-ethylidene-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]acetyl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)phenoxy]-2-oxoethyl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C48H64O27Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)Oc1ccc(CCOC2OC(CO)C(OC(=O)CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C3=CC)C(O)C2O)cc1Aglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)O.CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)Oc1ccc(CCO)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.62 |
| AlogP: | -4.13 | Num_rotatable_bonds: | 19 |
| MolWt: | 1073.01 | Num_heavy_atoms: | 75 |
| TPSA: | 401.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD03515
Formula: C11H14O6
Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
AD07960
Formula: C19H22O7
Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)Oc1ccc(CCO)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.37 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 362.38 | Num_heavy_atoms: | 26 |
| TPSA: | 102.29 | NumAromaticRings: | 1 |
