Glycoside
GD137904
Name:
Rotundioside UFormula:
C48H80O18Smiles:
COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(CO)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)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(CO)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: | 11 | FractionCSP3: | 0.96 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 10 |
| MolWt: | 945.15 | Num_heavy_atoms: | 66 |
| TPSA: | 287.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD01512
Formula: C31H52O5
Smiles:
COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(CO)C(O)CCC3(C)C12| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 4.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 504.75 | Num_heavy_atoms: | 36 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
