Glycoside
GD128426
Name:
Apigenin 7-Glucuronide-4'-RhamnosideFormula:
C27H28O15Smiles:
CC1OC(Oc2ccc(-c3cc(=O)c4c(O)cc(OC5OC(C(=O)O)C(O)C(O)C5O)cc4o3)cc2)C(O)C(O)C1OAglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.41 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 592.51 | Num_heavy_atoms: | 42 |
| TPSA: | 246.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD00529
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
