Glycoside
GD157190
Name:
2-({4,5-dihydroxy-6-[(6-hydroxy-7,9,13-trimethyl-6-{3-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]butyl}-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icos-18-en-16-yl)oxy]-2-(hydroxymethyl)oxan-3-yl}oxy)-6-methyloxane-3,4,5-triolFormula:
C45H74O17Smiles:
CC(CCC1(O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(C)C(O)C(O)C1OAglycone:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 11 |
| MolWt: | 887.07 | Num_heavy_atoms: | 62 |
| TPSA: | 266.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD01953
Formula: C27H44O4
Smiles:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
