Glycoside
GD127427
Name:
Dodoneaside AFormula:
C57H88O22Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(C)C(CC1(C)C)C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OC(CO)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)C(O)C2OAglycone:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(C)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2OSugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.84 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 13 |
| MolWt: | 1125.31 | Num_heavy_atoms: | 79 |
| TPSA: | 347.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD51601
Formula: C40H62O7
Smiles:
CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(C)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 7.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 654.93 | Num_heavy_atoms: | 47 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
