Glycoside
GD138484
Name:
7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane-6,14,18-triolFormula:
C39H66O16Smiles:
CC(CCC1(O)OC2CC3C4CCC5(O)CC(OC6OC(CO)C(O)C(O)C6O)CC(O)C5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC1(O)OC2CC3C4CCC5(O)CC(O)CC(O)C5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 790.94 | Num_heavy_atoms: | 55 |
| TPSA: | 268.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD55893
Formula: C27H46O6
Smiles:
CC(CO)CCC1(O)OC2CC3C4CCC5(O)CC(O)CC(O)C5(C)C4CCC3(C)C2C1C| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 466.66 | Num_heavy_atoms: | 33 |
| TPSA: | 110.38 | NumAromaticRings: | 0 |
