Glycoside
GD133296
Name:
ascalonicoside dFormula:
C46H76O21Smiles:
COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(O)C5(O)CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(=O)CC5(C)C4CCC3(C)C2C1CAglycone:
COC1(CCC(C)CO)OC2CC3C4CC(O)C5(O)CC(O)C(=O)CC5(C)C4CCC3(C)C2C1CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.98 |
| AlogP: | -2.83 | Num_rotatable_bonds: | 13 |
| MolWt: | 965.09 | Num_heavy_atoms: | 67 |
| TPSA: | 333.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD53956
Formula: C28H46O7
Smiles:
COC1(CCC(C)CO)OC2CC3C4CC(O)C5(O)CC(O)C(=O)CC5(C)C4CCC3(C)C2C1C| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.96 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 494.67 | Num_heavy_atoms: | 35 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
