Glycoside
GD145532
Name:
Marstomentoside MFormula:
C49H80O17Smiles:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3(O)CCC4CC(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(O)C(C)O7)C(C)O6)C(C)O5)CCC4(C)C3CC(OC(C)=O)C12CAglycone:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(C)=O)C12CSugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 4.4 | Num_rotatable_bonds: | 13 |
| MolWt: | 941.16 | Num_heavy_atoms: | 66 |
| TPSA: | 216.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD54451
Formula: C28H44O8
Smiles:
CC=C(C)C(=O)OC(C)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(OC(C)=O)C12C| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 508.65 | Num_heavy_atoms: | 36 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
