Glycoside
GD142784
Name:
2-{[8a-methyl-4-methylidene-6-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-decahydronaphthalen-2-yl]oxy}-6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C32H54O16Smiles:
C=C1CC(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)CC2(C)CCC(C(C)(C)OC3OC(CO)C(O)C(O)C3O)CC12Aglycone:
C=C1CC(O)CC2(C)CCC(C(C)(C)O)CC12Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.94 |
| AlogP: | -3.0 | Num_rotatable_bonds: | 10 |
| MolWt: | 694.77 | Num_heavy_atoms: | 48 |
| TPSA: | 257.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD53165
Formula: C15H26O2
Smiles:
C=C1CC(O)CC2(C)CCC(C(C)(C)O)CC12| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 238.37 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
