Glycoside
GD148531
Name:
2-{[2-(4a-methyl-8-methylidene-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphthalen-2-yl)propan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H46O12Smiles:
C=C1CC(OC2OC(CO)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:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 7 |
| MolWt: | 562.65 | Num_heavy_atoms: | 39 |
| TPSA: | 198.76 | 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 |
