Glycoside
GD125823
Name:
Rotundioside FFormula:
C48H78O16Smiles:
CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5C=CC57OCC8(CCC(C)(C)CC85)C(O)CC67C)C4(C)C)OC(C)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1Sugarmoiety:
CC1OC(OC2C(OC3C(O)OC(C)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.96 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 911.14 | Num_heavy_atoms: | 64 |
| TPSA: | 246.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD09166
Formula: C30H48O3
Smiles:
CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1| HBA: | 3 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 6.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
