Glycoside

GD037300
Name:
NoneFormula:
C40H56O22Smiles:
CC(C)C[C@](O)(CC(=O)OCc1ccc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)cc1)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CC(C)CC(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 22 | RingCount: | 5 |
HBD: | 12 | FractionCSP3: | 0.65 |
AlogP: | -4.18 | Num_rotatable_bonds: | 18 |
MolWt: | 888.87 | Num_heavy_atoms: | 62 |
TPSA: | 350.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD07301
Formula: C22H26O7
Smiles:
CC(C)CC(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1HBA: | 7 | RingCount: | 2 |
HBD: | 3 | FractionCSP3: | 0.36 |
AlogP: | 3.05 | Num_rotatable_bonds: | 9 |
MolWt: | 402.44 | Num_heavy_atoms: | 29 |
TPSA: | 113.29 | NumAromaticRings: | 2 |