Glycoside
GD125415
Name:
Rotundioside NFormula:
C48H78O18Smiles:
COC1C=C2C3CC(C)(C)C(=O)CC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(C)C(OC4OC(C)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)CCC3(C)C12Aglycone:
COC1C=C2C3CC(C)(C)C(=O)CC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12Sugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.94 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 9 |
| MolWt: | 943.13 | Num_heavy_atoms: | 66 |
| TPSA: | 283.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD50725
Formula: C31H50O5
Smiles:
COC1C=C2C3CC(C)(C)C(=O)CC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 4.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 502.74 | Num_heavy_atoms: | 36 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
