Glycoside
GD143857
Name:
Elephanoside BFormula:
C51H86O24Smiles:
CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 9 |
| HBD: | 15 | FractionCSP3: | 1.0 |
| AlogP: | -3.95 | Num_rotatable_bonds: | 16 |
| MolWt: | 1083.23 | Num_heavy_atoms: | 75 |
| TPSA: | 386.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD01789
Formula: C27H46O4
Smiles:
CC(CO)CCC1(O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 434.66 | Num_heavy_atoms: | 31 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
