Glycoside
GD144701
Name:
6-Deoxyclitoriacetal 11-O-GlucosideFormula:
C25H28O13Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)OC1COc3cc(OC)c(OC)cc3C1(O)C2=OAglycone:
COc1cc(O)c2c(c1)OC1COc3cc(OC)c(OC)cc3C1(O)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 536.49 | Num_heavy_atoms: | 38 |
| TPSA: | 182.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD58128
Formula: C19H18O8
Smiles:
COc1cc(O)c2c(c1)OC1COc3cc(OC)c(OC)cc3C1(O)C2=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 374.35 | Num_heavy_atoms: | 27 |
| TPSA: | 103.68 | NumAromaticRings: | 2 |
