Glycoside
GD116153
Name:
methyl 3-[2-({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)ethylidene]-4-(2-methoxy-2-oxoethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C35H48O22Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCAglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.66 |
| AlogP: | -3.95 | Num_rotatable_bonds: | 14 |
| MolWt: | 820.75 | Num_heavy_atoms: | 57 |
| TPSA: | 322.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD46079
Formula: C23H28O12
Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OC| HBA: | 12 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.48 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 8 |
| MolWt: | 496.47 | Num_heavy_atoms: | 35 |
| TPSA: | 164.12 | NumAromaticRings: | 0 |
