Glycoside
GD136856
Name:
Neosibiricoside BFormula:
C52H82O24Smiles:
CC(=O)OC1CC(OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)CC2=CCC3C4CC5OC6(CCC(C)CO6)C(C)C5C4(C)CCC3C21CAglycone:
CC(=O)OC1CC(O)CC2=CCC3C4CC5OC6(CCC(C)CO6)C(C)C5C4(C)CCC3C21CSugarmoiety:
OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 10 |
| HBD: | 12 | FractionCSP3: | 0.94 |
| AlogP: | -2.81 | Num_rotatable_bonds: | 12 |
| MolWt: | 1091.2 | Num_heavy_atoms: | 76 |
| TPSA: | 361.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD07170
Formula: C29H44O5
Smiles:
CC(=O)OC1CC(O)CC2=CCC3C4CC5OC6(CCC(C)CO6)C(C)C5C4(C)CCC3C21C| HBA: | 5 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 5.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.67 | Num_heavy_atoms: | 34 |
| TPSA: | 64.99 | NumAromaticRings: | 0 |
