Glycoside
GD117078
Name:
Marianoside AFormula:
C37H62O8Smiles:
C=C(CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC2OC(CO)C(O)C(O)C2O)C(C)(CO)C1CC3)C(C)(C)OAglycone:
C=C(CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(CO)C1CC3)C(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 4.64 | Num_rotatable_bonds: | 9 |
| MolWt: | 634.9 | Num_heavy_atoms: | 45 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD46623
Formula: C31H52O3
Smiles:
C=C(CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(CO)C1CC3)C(C)(C)O| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 472.75 | Num_heavy_atoms: | 34 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
