Glycoside
GD147136
Name:
6-Hydroxyluteolin 7-[3''-(3-Hydroxy-3-Methylglutaryl)Glucoside]Formula:
C27H28O16Smiles:
CC(O)(CC(=O)O)CC(=O)OC1C(O)C(CO)OC(Oc2cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c(O)c2O)C1OAglycone:
CC(O)(CC(=O)O)CC(=O)O.O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.37 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 9 |
| MolWt: | 608.51 | Num_heavy_atoms: | 43 |
| TPSA: | 274.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD06961
Formula: C15H10O7
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
AD17237
Formula: C6H10O5
Smiles:
CC(O)(CC(=O)O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 162.14 | Num_heavy_atoms: | 11 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
