Glycoside
GD154579
Name:
Scutellarein 7-Glucuronide-6-FerulateFormula:
C31H26O15Smiles:
COc1cc(C=CC(=O)Oc2c(OC3OC(C(=O)O)C(O)C(O)C3O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)ccc1OAglycone:
COc1cc(C=CC(=O)Oc2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)ccc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.19 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 8 |
| MolWt: | 638.53 | Num_heavy_atoms: | 46 |
| TPSA: | 242.88 | NumAromaticRings: | 4 |
Unique Aglycone
AD61380
Formula: C25H18O9
Smiles:
COc1cc(C=CC(=O)Oc2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)ccc1O| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.04 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.41 | Num_heavy_atoms: | 34 |
| TPSA: | 146.66 | NumAromaticRings: | 4 |
