Glycoside
GD123131
Name:
Marstomentoside CFormula:
C57H81O17NSmiles:
COC1CC(OC2CCC3(C)C(CCC4C3CC(OC(=O)C=Cc3ccccc3)C3(C)C(O)(C(C)OC(=O)c5cccnc5)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1Aglycone:
CC(OC(=O)c1cccnc1)C1(O)CCC2(O)C3CCC4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1Other Identifiers
Properties
| HBA: | 18 | RingCount: | 9 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 5.69 | Num_rotatable_bonds: | 15 |
| MolWt: | 1052.27 | Num_heavy_atoms: | 75 |
| TPSA: | 229.48 | NumAromaticRings: | 2 |
Unique Aglycone
AD49666
Formula: C36H45O7N
Smiles:
CC(OC(=O)c1cccnc1)C1(O)CCC2(O)C3CCC4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | 5.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 603.76 | Num_heavy_atoms: | 44 |
| TPSA: | 126.18 | NumAromaticRings: | 2 |
