Glycoside
GD118711
Name:
Quercuside AFormula:
C35H32O16Smiles:
COc1cc(C=CC(=O)Oc2cc(O)c3c(=O)c(OC4OC(COC(C)=O)C(O)C(O)C4OC(C)=O)c(-c4ccc(O)cc4)oc3c2)ccc1OAglycone:
COC(C)=O.COc1cc(C=CC(=O)Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)ccc1OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 708.63 | Num_heavy_atoms: | 51 |
| TPSA: | 237.95 | NumAromaticRings: | 4 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD47488
Formula: C25H18O9
Smiles:
COc1cc(C=CC(=O)Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)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 |
