Glycoside
GD156296
Name:
3-O-{Beta-D-Galactopyranosyl(1-2)-Alpha-L-Rhamnopyranosyl(1-4)-Beta-D-Glu+Formula:
C55H88O22Smiles:
CC(=O)OC1C(O)C2(COC(=O)CC(C)C)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)CAglycone:
CC(=O)OC1C(O)C2(COC(=O)CC(C)C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)CSugarmoiety:
CC1OC(OC2C(C(=O)O)OC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.91 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 13 |
| MolWt: | 1101.29 | Num_heavy_atoms: | 77 |
| TPSA: | 347.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD51618
Formula: C37H60O7
Smiles:
CC(=O)OC1C(O)C2(COC(=O)CC(C)C)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 6.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 616.88 | Num_heavy_atoms: | 44 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
