Glycoside
GD131494
Name:
Kingianoside CFormula:
C45H72O20Smiles:
CC(CCC1(O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CC(=O)C3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.93 |
| AlogP: | -2.68 | Num_rotatable_bonds: | 13 |
| MolWt: | 933.05 | Num_heavy_atoms: | 65 |
| TPSA: | 324.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD53271
Formula: C27H42O5
Smiles:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CC(=O)C3(C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 3.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
