Glycoside
GD131117
Name:
7-Oxomogroside VFormula:
C60H100O30Smiles:
CC(CCC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(C)(C)O)C1CCC2(C)C3C(=O)C=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)C(O)CC12CAglycone:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3C(=O)C=C4C(CCC(O)C4(C)C)C3(C)C(O)CC12CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 9 |
| HBD: | 19 | FractionCSP3: | 0.95 |
| AlogP: | -6.23 | Num_rotatable_bonds: | 20 |
| MolWt: | 1301.43 | Num_heavy_atoms: | 90 |
| TPSA: | 493.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD19070
Formula: C30H50O5
Smiles:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3C(=O)C=C4C(CCC(O)C4(C)C)C3(C)C(O)CC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 4.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
Sugarmoiety
SD01359
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O