Glycoside
GD121149
Name:
2-[(4,5-dihydroxy-2-{[6-hydroxy-7,13-dimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icos-18-en-16-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C44H72O18Smiles:
CC(CCC1(O)OC2CC3C(CCC4C3CC=C3CC(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC34C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC1(O)OC2CC3C(CCC4C3CC=C3CC(O)CCC34C)C2C1CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.95 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 12 |
| MolWt: | 889.04 | Num_heavy_atoms: | 62 |
| TPSA: | 287.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD48736
Formula: C26H42O4
Smiles:
CC(CO)CCC1(O)OC2CC3C(CCC4C3CC=C3CC(O)CCC34C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 418.62 | Num_heavy_atoms: | 30 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
