Glycoside
GD034384
Name:
NoneFormula:
C31H50O12Smiles:
C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)CC[C@]43C)[C@H]1CCC2=OAglycone:
CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 614.73 | Num_heavy_atoms: | 43 |
| TPSA: | 195.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD21868
Formula: C19H30O2
Smiles:
CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 0 |
| MolWt: | 290.45 | Num_heavy_atoms: | 21 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
