Glycoside
GD010897
Name:
Clitoriacetal 11-O-GlucosideFormula:
C25H28O14Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)O[C@@H]1[C@H](O)Oc3cc(OC)c(OC)cc3[C@@]1(O)C2=OAglycone:
COc1cc(O)c2c(c1)OC1C(O)Oc3cc(OC)c(OC)cc3C1(O)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 552.49 | Num_heavy_atoms: | 39 |
| TPSA: | 203.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD08361
Formula: C19H18O9
Smiles:
COc1cc(O)c2c(c1)OC1C(O)Oc3cc(OC)c(OC)cc3C1(O)C2=O| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 390.34 | Num_heavy_atoms: | 28 |
| TPSA: | 123.91 | NumAromaticRings: | 2 |
