Glycoside
GD120112
Name:
Smilaxchinoside AFormula:
C51H82O22Smiles:
CC(CC=C1OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1(C)O)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CC=C1OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1(C)OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.92 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 13 |
| MolWt: | 1047.2 | Num_heavy_atoms: | 73 |
| TPSA: | 346.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD48214
Formula: C27H42O4
Smiles:
CC(CO)CC=C1OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1(C)O| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 430.63 | Num_heavy_atoms: | 31 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
