Glycoside
GD130285
Name:
Leucocyanidin 4',7-Dimethylether 3-O-RutinosideFormula:
C29H38O16Smiles:
COc1cc(O)c2c(c1)OC(c1ccc(OC)c(O)c1)C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C2OAglycone:
COc1cc(O)c2c(c1)OC(c1ccc(OC)c(O)c1)C(O)C2OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 642.61 | Num_heavy_atoms: | 45 |
| TPSA: | 246.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD52794
Formula: C17H18O7
Smiles:
COc1cc(O)c2c(c1)OC(c1ccc(OC)c(O)c1)C(O)C2O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 334.32 | Num_heavy_atoms: | 24 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
