Glycoside
GD121511
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-hydroxyphenyl)ethoxy]-2-oxoethyl}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C42H54O22Smiles:
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)OCCc3ccc(O)cc3)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)OCCc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 16 |
| MolWt: | 910.87 | Num_heavy_atoms: | 64 |
| TPSA: | 322.42 | NumAromaticRings: | 1 |
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 |
AD04764
Formula: C19H22O7
Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc(O)cc1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.37 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 362.38 | Num_heavy_atoms: | 26 |
| TPSA: | 102.29 | NumAromaticRings: | 1 |
