Glycoside
GD148884
Name:
4-[(2-{[3,6-dihydroxy-7,9,13-trimethyl-6-(3-methylbutyl)-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan-16-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)cyclohexane-1,2,3-triolFormula:
C40H68O13Smiles:
CC(C)CCC1(O)OC2C(O)C3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6CC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1CAglycone:
CC(C)CCC1(O)OC2C(O)C3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C.OCC1CC(O)C(O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 9 |
| MolWt: | 756.97 | Num_heavy_atoms: | 53 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD07534
Formula: C7H14O5
Smiles:
OCC1CC(O)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.18 | Num_heavy_atoms: | 12 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
AD59557
Formula: C27H46O4
Smiles:
CC(C)CCC1(O)OC2C(O)C3C4CCC5CC(O)CCC5(C)C4CCC3(C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 434.66 | Num_heavy_atoms: | 31 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
