Glycoside
GD138056
Name:
Rotundifolioside AFormula:
C47H76O17Smiles:
CC1CCC23COC4(C=CC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1CAglycone:
CC1CCC23COC4(C=CC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1CSugarmoiety:
OCC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 913.11 | Num_heavy_atoms: | 64 |
| TPSA: | 266.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD10068
Formula: C30H48O3
Smiles:
CC1CCC23COC4(C=CC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1C| HBA: | 3 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 5.98 | Num_rotatable_bonds: | 0 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
