Glycoside
GD142219
Name:
Neosibiricoside CFormula:
C52H82O23Smiles:
CC(=O)OC1C(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CC4OC5(CCC(C)CO5)C(C)C43)C2)OC(CO)C(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2CSugarmoiety:
CC(=O)OC1C(O)OC(CO)C(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 10 |
| HBD: | 11 | FractionCSP3: | 0.94 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 12 |
| MolWt: | 1075.21 | Num_heavy_atoms: | 75 |
| TPSA: | 341.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD00005
Formula: C27H42O3
Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C| HBA: | 3 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 414.63 | Num_heavy_atoms: | 30 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
