Glycoside
GD148493
Name:
Ombuin 3-Rutinoside-5-GlucosideFormula:
C35H44O21Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(=O)c(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)c(-c3ccc(OC)c(O)c3)oc2c1Aglycone:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(OC)c(O)c3)oc2c1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.57 |
| AlogP: | -3.61 | Num_rotatable_bonds: | 11 |
| MolWt: | 800.72 | Num_heavy_atoms: | 56 |
| TPSA: | 326.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD45287
Formula: C17H14O7
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(OC)c(O)c3)oc2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
