Glycoside
GD135170
Name:
3,5,7-Trihydroxy-4'-Methoxyflavone; 3-O-[3,4,5-Trihydroxybenzoyl-(->2)-[α-L-Rhamnopyranosyl-(1->6)]-β-D-Glucopyranoside], 7-O-α-L-RhamnopyranosideFormula:
C41H46O23Smiles:
COc1ccc(-c2oc3cc(OC4OC(C)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2OC(=O)c2cc(O)c(O)c(O)c2)cc1Aglycone:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.46 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 11 |
| MolWt: | 906.8 | Num_heavy_atoms: | 64 |
| TPSA: | 363.88 | NumAromaticRings: | 4 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD07766
Formula: C16H12O6
Smiles:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
