Glycoside
GD137693
Name:
6''-O-Alpha-D-GlucopyranosylipecosideFormula:
C33H45O17NSmiles:
C=CC1C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1c2cc(O)c(O)cc2CCN1C(C)=OAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1c2cc(O)c(O)cc2CCN1C(C)=OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.64 |
| AlogP: | -2.59 | Num_rotatable_bonds: | 10 |
| MolWt: | 727.71 | Num_heavy_atoms: | 51 |
| TPSA: | 274.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD55617
Formula: C21H25O7N
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1c2cc(O)c(O)cc2CCN1C(C)=O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 403.43 | Num_heavy_atoms: | 29 |
| TPSA: | 116.53 | NumAromaticRings: | 1 |
