Glycoside
GD150807
Name:
1,3,8-trihydroxy-6-methylanthraquinone; 3-me ether, 1-o-[α-l-arabinopyranosyl-(1->3)-[β-d-galactopyranosyl-(1->6)]-β-d-galactopyranoside]Formula:
C33H40O19Smiles:
COc1cc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(OC3OCC(O)C(O)C3O)C2O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=OAglycone:
COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.58 |
| AlogP: | -4.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 740.66 | Num_heavy_atoms: | 52 |
| TPSA: | 301.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD07716
Formula: C16H12O5
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 83.83 | NumAromaticRings: | 2 |
