Glycoside
GD140034
Name:
Ascalonicoside CFormula:
C45H74O21Smiles:
CC(CCC1(O)OC2CC3C4CC(O)C5(O)CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(=O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC1(O)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: | 13 | FractionCSP3: | 0.98 |
| AlogP: | -3.49 | Num_rotatable_bonds: | 12 |
| MolWt: | 951.07 | Num_heavy_atoms: | 66 |
| TPSA: | 344.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD56460
Formula: C27H44O7
Smiles:
CC(CO)CCC1(O)OC2CC3C4CC(O)C5(O)CC(O)C(=O)CC5(C)C4CCC3(C)C2C1C| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.96 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 480.64 | Num_heavy_atoms: | 34 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
