Glycoside
GD153846
Name:
4,8a-dimethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-oneFormula:
C27H44O13Smiles:
CC1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)CC2(C)CCC(C(C)(C)OC3OC(CO)C(O)C(O)C3O)CC12Aglycone:
CC1=C(O)C(=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: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 576.64 | Num_heavy_atoms: | 40 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD61153
Formula: C15H24O3
Smiles:
CC1=C(O)C(=O)CC2(C)CCC(C(C)(C)O)CC12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 252.35 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
