Glycoside
GD148656
Name:
2-[(6-{[5,8-dihydroxy-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-decahydronaphthalen-1-yl]oxy}-3,4-dihydroxyoxan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H48O13Smiles:
CC(C)(O)C1CCC2(C)C(O)CCC(C)(O)C2C1OC1CC(O)C(O)C(COC2OC(CO)C(O)C(O)C2O)O1Aglycone:
CC(C)(O)C1CCC2(C)C(O)CCC(C)(O)C2C1OSugarmoiety:
OCC1OC(OCC2OC(O)CC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -2.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 580.67 | Num_heavy_atoms: | 40 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD59476
Formula: C15H28O4
Smiles:
CC(C)(O)C1CCC2(C)C(O)CCC(C)(O)C2C1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.38 | Num_heavy_atoms: | 19 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
