Glycoside
GD155382
Name:
Hainaneoside AFormula:
C61H95O25NSmiles:
COC1CC(OC2CCC3(C)C(C=CC4(O)C3CC(OC(=O)c3cccnc3)C3(C)C(O)(C(C)O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1Aglycone:
CC(O)C1(O)CCC2(O)C3(O)C=CC4CC(O)CCC4(C)C3CC(OC(=O)c3cccnc3)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1Other Identifiers
Properties
| HBA: | 26 | RingCount: | 10 |
| HBD: | 9 | FractionCSP3: | 0.87 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 18 |
| MolWt: | 1242.41 | Num_heavy_atoms: | 87 |
| TPSA: | 350.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD61640
Formula: C27H37O7N
Smiles:
CC(O)C1(O)CCC2(O)C3(O)C=CC4CC(O)CCC4(C)C3CC(OC(=O)c3cccnc3)C12C| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 487.59 | Num_heavy_atoms: | 35 |
| TPSA: | 140.34 | NumAromaticRings: | 1 |
Sugarmoiety
SD00904
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1