Glycoside
GD138863
Name:
Isoorientin 3'-O-GlucuronideFormula:
C27H28O17Smiles:
O=C(O)C1OC(Oc2cc(-c3cc(=O)c4c(O)c(C5OC(CO)C(O)C(O)C5O)c(O)cc4o3)ccc2O)C(O)C(O)C1OAglycone:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.41 |
| AlogP: | -2.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 624.5 | Num_heavy_atoms: | 44 |
| TPSA: | 297.5 | 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 |
