Glycoside
GD138792
Name:
Scutellarein 6,7,4'-Trimethyl Ether 5-(6'''-Acetylglucosyl)(1->3)-GalactosideFormula:
C32H38O17Smiles:
COc1ccc(-c2cc(=O)c3c(OC4OC(CO)C(O)C(OC5OC(COC(C)=O)C(O)C(O)C5O)C4O)c(OC)c(OC)cc3o2)cc1Aglycone:
COC(C)=O.COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(OC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 11 |
| MolWt: | 694.64 | Num_heavy_atoms: | 49 |
| TPSA: | 242.5 | 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 |
AD53228
Formula: C18H16O6
Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 328.32 | Num_heavy_atoms: | 24 |
| TPSA: | 78.13 | NumAromaticRings: | 3 |
