Glycoside
GD157056
Name:
2-methyl-6-{[2-(4-methyl-8-methylidene-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphthalen-2-yl)propan-2-yl]oxy}oxane-3,4,5-triolFormula:
C27H46O11Smiles:
C=C1C(OC2OC(CO)C(O)C(O)C2O)CCC2C(C)CC(C(C)(C)OC3OC(C)C(O)C(O)C3O)CC12Aglycone:
C=C1C(O)CCC2C(C)CC(C(C)(C)O)CC12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.93 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 546.65 | Num_heavy_atoms: | 38 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD62131
Formula: C15H26O2
Smiles:
C=C1C(O)CCC2C(C)CC(C(C)(C)O)CC12| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 238.37 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
