Glycoside
GD027424
Name:
NoneFormula:
C30H42O12Smiles:
C[C@@]12CC[C@@H]3c4ccc(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)cc4CC[C@H]3[C@H]1CCC2=OAglycone:
CC12CCC3c4ccc(O)cc4CCC3C1CCC2=OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.77 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 594.65 | Num_heavy_atoms: | 42 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD18025
Formula: C18H22O2
Smiles:
CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.61 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 0 |
| MolWt: | 270.37 | Num_heavy_atoms: | 20 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
