Glycoside
GD125166
Name:
Rotundioside YFormula:
C49H82O17Smiles:
COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(C)C(OC4OC(C)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)CCC3(C)C12Aglycone:
COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12Sugarmoiety:
CC1OC(OC2C(OC3C(O)OC(C)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 9 |
| MolWt: | 943.18 | Num_heavy_atoms: | 66 |
| TPSA: | 266.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD16277
Formula: C31H52O4
Smiles:
COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(C)C(O)CCC3(C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 5.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 488.75 | Num_heavy_atoms: | 35 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
