Glycoside
GD125741
Name:
Gymnoside XviiFormula:
C46H66O28Smiles:
CC(C)CC(OC1OC(CO)C(O)C(O)C1O)(C(=O)OCc1ccc(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)cc1)C(O)C(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
Cc1ccc(O)cc1.Cc1ccc(O)cc1Sugarmoiety:
CC(C)CC(OC1OC(CO)C(O)C(O)C1O)(C(=O)OO)C(O)C(=O)OO.OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 6 |
| HBD: | 16 | FractionCSP3: | 0.7 |
| AlogP: | -7.38 | Num_rotatable_bonds: | 21 |
| MolWt: | 1067.01 | Num_heavy_atoms: | 74 |
| TPSA: | 450.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD00732
Formula: C7H8O
Smiles:
Cc1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
Sugarmoiety
SD00225
CC(C)CC(OC1OC(CO)C(O)C(O)C1O)(C(=O)OO)C(O)C(=O)OO.OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O