Glycoside
GD009024
Name:
NoneFormula:
C25H32O11Smiles:
C[C@]12CC[C@]3(O)C(=O)O[C@@H](c4ccoc4)C[C@@]3(C)[C@H]1[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C=CC2=OAglycone:
CC12CCC3(O)C(=O)OC(c4ccoc4)CC3(C)C1C(O)C=CC2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 508.52 | Num_heavy_atoms: | 36 |
| TPSA: | 176.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD07129
Formula: C19H22O6
Smiles:
CC12CCC3(O)C(=O)OC(c4ccoc4)CC3(C)C1C(O)C=CC2=O| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 346.38 | Num_heavy_atoms: | 25 |
| TPSA: | 96.97 | NumAromaticRings: | 1 |
