Glycoside
GD150613
Name:
Rotundioside SFormula:
C48H78O17Smiles:
CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5C=CC57OCC8(CC(O)C(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)CC2C3(COC24C=CC2C5(C)CCC(O)C(C)(C)C5CCC2(C)C4(C)CC3O)CC1OSugarmoiety:
CC1OC(OC2C(OC3C(O)OC(C)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 927.14 | Num_heavy_atoms: | 65 |
| TPSA: | 266.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD51595
Formula: C30H48O4
Smiles:
CC1(C)CC2C3(COC24C=CC2C5(C)CCC(O)C(C)(C)C5CCC2(C)C4(C)CC3O)CC1O| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
