Glycoside
GD118408
Name:
2-{[1,7-dimethyl-7-(4-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentyl)bicyclo[2.2.1]heptan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H48O12Smiles:
CC(CCCC1(C)C2CCC1(C)C(OC1OC(CO)C(O)C(O)C1O)C2)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCCC1(C)C2CCC1(C)C(O)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 11 |
| MolWt: | 564.67 | Num_heavy_atoms: | 39 |
| TPSA: | 198.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD47338
Formula: C15H28O2
Smiles:
CC(CO)CCCC1(C)C2CCC1(C)C(O)C2| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 240.39 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
