Glycoside
GD115449
Name:
6-O-MethylipecosideFormula:
C28H37O12NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1c2cc(O)c(OC)cc2CCN1C(C)=OAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1c2cc(O)c(OC)cc2CCN1C(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 579.6 | Num_heavy_atoms: | 41 |
| TPSA: | 184.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD45670
Formula: C22H27O7N
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1c2cc(O)c(OC)cc2CCN1C(C)=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 417.46 | Num_heavy_atoms: | 30 |
| TPSA: | 105.53 | NumAromaticRings: | 1 |
