Glycoside
GD123401
Name:
Cucurbitoside MFormula:
C25H31O12NSmiles:
Nc1ccc(C(=O)OCC2(O)COC(OC3C(Oc4ccc(CO)cc4)OC(CO)C(O)C3O)C2O)cc1Aglycone:
COC(=O)c1ccc(N)cc1.OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 537.52 | Num_heavy_atoms: | 38 |
| TPSA: | 210.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD02945
Formula: C7H8O2
Smiles:
OCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD44990
Formula: C8H9O2N
Smiles:
COC(=O)c1ccc(N)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 151.17 | Num_heavy_atoms: | 11 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
