Glycoside
GD133866
Name:
Quercetagetin 7-Methyl Ether 3-(2'''-Caffeoylglucosyl)-(1->2)-GlucuronideFormula:
C37H36O22Smiles:
COc1cc2oc(-c3ccc(O)c(O)c3)c(OC3OC(C(=O)O)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3OC(=O)C=Cc3ccc(O)c(O)c3)c(=O)c2c(O)c1OAglycone:
COc1cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c(O)c1O.O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.32 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 11 |
| MolWt: | 832.67 | Num_heavy_atoms: | 59 |
| TPSA: | 362.49 | NumAromaticRings: | 4 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD14717
Formula: C16H12O8
Smiles:
COc1cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c(O)c1O| 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 |
