Glycoside
GD111701
Name:
NoneFormula:
C31H29O12ClSmiles:
CC(=O)OC[C@H]1O[C@@H](COc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.37 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 9 |
| MolWt: | 617.0 | Num_heavy_atoms: | 43 |
| TPSA: | 153.87 | NumAromaticRings: | 3 |
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 |
AD44736
Formula: C17H11O3Cl
Smiles:
COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.71 | Num_heavy_atoms: | 20 |
| TPSA: | 39.44 | NumAromaticRings: | 3 |
