Glycoside
GD142171
Name:
Myrseguinoside BFormula:
C21H20O12Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OCC(O)C(O)C2O)cc(O)c1OAglycone:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(O)c1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 464.38 | Num_heavy_atoms: | 33 |
| TPSA: | 199.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD46166
Formula: C16H12O8
Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(O)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
