Glycoside
GD005365
Name:
MOGROSIDE II A1Formula:
C42H72O14Smiles:
C[C@H](CC[C@H](OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@@]3(C)[C@H](O)C[C@]12CAglycone:
COC(CCC(C)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(O)CC12C)C(C)(C)OSugarmoiety:
OC1OC(COC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 11 |
| MolWt: | 801.02 | Num_heavy_atoms: | 56 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD04570
Formula: C31H54O4
Smiles:
COC(CCC(C)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(O)CC12C)C(C)(C)O| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 6.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 490.77 | Num_heavy_atoms: | 35 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
