Glycoside
GD140111
Name:
Marianoside BFormula:
C37H62O6Smiles:
C=C(CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC2OC(CO)C(O)C(O)C2O)C(C)(C)C1CC3)C(C)CAglycone:
C=C(CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 6.55 | Num_rotatable_bonds: | 8 |
| MolWt: | 602.9 | Num_heavy_atoms: | 43 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD56489
Formula: C31H52O
Smiles:
C=C(CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 8.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.76 | Num_heavy_atoms: | 32 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
