Glycoside
GD149825
Name:
Isoorientin 3',6''-Di-O-GlucosideFormula:
C33H40O21Smiles:
O=c1cc(-c2ccc(O)c(OC3OC(CO)C(O)C(O)C3O)c2)oc2cc(O)c(C3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)c(O)c12Aglycone:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.55 |
| AlogP: | -4.91 | Num_rotatable_bonds: | 9 |
| MolWt: | 772.66 | Num_heavy_atoms: | 54 |
| TPSA: | 359.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD00567
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
