Glycoside
GD150640
Name:
Patuletin 3-(2''-Feruloylglucosyl)-(1->6)-[Apiosyl-(1->2)-Glucoside]Formula:
C43H48O25Smiles:
COc1cc(C=CC(=O)OC2C(OCC3OC(Oc4c(-c5ccc(O)c(O)c5)oc5cc(O)c(OC)c(O)c5c4=O)C(OC4OCC(O)(CO)C4O)C(O)C3O)OC(CO)C(O)C2O)ccc1OAglycone:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O.COc1cc(C=CC(=O)O)ccc1OSugarmoiety:
OCC1OC(OCC2OC(O)C(OC3OCC(O)(CO)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.44 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 15 |
| MolWt: | 964.83 | Num_heavy_atoms: | 68 |
| TPSA: | 393.34 | NumAromaticRings: | 4 |
Unique Aglycone
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD01718
Formula: C16H12O8
Smiles:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
