Glycoside
GD117777
Name:
Rotundifolioside GFormula:
C47H76O18Smiles:
CC1CCC23COC4(C=CC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1CAglycone:
CC1CCC23COC4(C=CC5C6(C)CCC(O)C(C)(CO)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: | 18 | RingCount: | 9 |
| HBD: | 11 | FractionCSP3: | 0.96 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 929.11 | Num_heavy_atoms: | 65 |
| TPSA: | 287.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD47005
Formula: C30H48O4
Smiles:
CC1CCC23COC4(C=CC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1C| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
