Glycoside
GD116635
Name:
Marstomentoside SFormula:
C57H86O22Smiles:
COC1CC(OC2CCC3(C)C(=CCC4(O)C3CC(OC(=O)C=Cc3ccccc3)C3(C)C(O)(C(C)O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1Aglycone:
CC(O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.81 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 16 |
| MolWt: | 1123.29 | Num_heavy_atoms: | 79 |
| TPSA: | 309.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD04115
Formula: C30H40O7
Smiles:
CC(O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 512.64 | Num_heavy_atoms: | 37 |
| TPSA: | 127.45 | NumAromaticRings: | 1 |
