Glycoside
GD099601
Name:
NoneFormula:
C22H26O12Smiles:
CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(=O)COc2ccccc2)[C@@H]1OC(C)=OAglycone:
COC(C)=O.O=C(O)COc1ccccc1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 482.44 | Num_heavy_atoms: | 34 |
| TPSA: | 149.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD09882
Formula: C8H8O3
Smiles:
O=C(O)COc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
