Glycoside
GD120059
Name:
methyl 3-ethylidene-2-({6-[({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)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-4-(2-{2-[4-(2-methoxy-2-oxoethyl)-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-3-ylidene]ethoxy}-2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C52H70O32Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC1OC(OC2OC=C(C(=O)OC)C(CC(=O)OCC=C3C(OC4OC(CO)C(O)C(O)C4O)OC=C(C(=O)OC)C3CC(=O)OC)C2=CC)C(O)C(O)C1OAglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OC.CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 32 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.65 |
| AlogP: | -5.22 | Num_rotatable_bonds: | 21 |
| MolWt: | 1207.1 | Num_heavy_atoms: | 84 |
| TPSA: | 463.4 | NumAromaticRings: | 0 |
Unique Aglycone
AD02763
Formula: C12H16O6
Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OC| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 256.25 | Num_heavy_atoms: | 18 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
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 |
