Glycoside
GD120092
Name:
1,3,8-Trihydroxy-6-Methylanthraquinone; 1,3-Di-Me Ether, 8-O-[β-D-Glucopyranosyl-(1->4)-α-L-Rhamnopyranoside]Formula:
C29H34O14Smiles:
COc1cc(OC)c2c(c1)C(=O)c1cc(C)cc(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)c1C2=OAglycone:
COc1cc(OC)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 606.58 | Num_heavy_atoms: | 43 |
| TPSA: | 210.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD48200
Formula: C17H14O5
Smiles:
COc1cc(OC)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 72.83 | NumAromaticRings: | 2 |
