Glycoside
GD133504
Name:
3,3',4',5,7-Pentahydroxyflavone; 4'-O-(2-Propanoyloxyethenyl), 3-O-[3,4,5-Trihydroxybenzoyl-(1->2)-β-D-Glucopyranoside]Formula:
C33H30O18Smiles:
CCC(=O)OC=COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2OC(=O)c2cc(O)c(O)c(O)c2)cc1OAglycone:
CCC(=O)OC=COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.24 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 10 |
| MolWt: | 714.59 | Num_heavy_atoms: | 51 |
| TPSA: | 292.57 | 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 |
AD54030
Formula: C20H16O9
Smiles:
CCC(=O)OC=COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.1 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 400.34 | Num_heavy_atoms: | 29 |
| TPSA: | 146.66 | NumAromaticRings: | 3 |
