Glycoside
GD140296
Name:
RuscosideFormula:
C50H80O23Smiles:
C=C(CCC1(O)OC2CC3C4CC=C5CC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)CC(O)C5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
C=C(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1CSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.92 |
| AlogP: | -3.48 | Num_rotatable_bonds: | 14 |
| MolWt: | 1049.17 | Num_heavy_atoms: | 73 |
| TPSA: | 366.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD45269
Formula: C27H42O5
Smiles:
C=C(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C2C1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
