Glycoside
GD144074
Name:
Isorhamnetin 3-Rhamnosyl-(1->2)-Gentiobiosyl-(1->6)-GlucosideFormula:
C40H52O26Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(COC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1OSugarmoiety:
CC1OC(OC2C(OCC3OC(O)C(O)C(O)C3O)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 7 |
| HBD: | 15 | FractionCSP3: | 0.62 |
| AlogP: | -5.74 | Num_rotatable_bonds: | 13 |
| MolWt: | 948.83 | Num_heavy_atoms: | 66 |
| TPSA: | 416.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD01682
Formula: C16H12O7
Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.26 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
