Glycoside
GD121049
Name:
Rotundifolioside BFormula:
C47H78O17Smiles:
CC1CCC2(CO)C(O)CC3(C)C(=CC(O)C4C5(C)CCC(OC6OC(C)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1CAglycone:
CC1CCC2(CO)C(O)CC3(C)C(=CC(O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1CSugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.96 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 915.12 | Num_heavy_atoms: | 64 |
| TPSA: | 277.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD48690
Formula: C30H50O4
Smiles:
CC1CCC2(CO)C(O)CC3(C)C(=CC(O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
