Glycoside

GD035471
Name:
6-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icos-17-en-16-oneFormula:
C34H54O8Smiles:
CC(CCC1(O)C[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]2[C@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(CO)CCC1(O)CC2CC3C4CCC5=CC(=O)CCC5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 8 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.91 |
AlogP: | 3.36 | Num_rotatable_bonds: | 7 |
MolWt: | 590.8 | Num_heavy_atoms: | 42 |
TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD22436
Formula: C28H44O3
Smiles:
CC(CO)CCC1(O)CC2CC3C4CCC5=CC(=O)CCC5(C)C4CCC3(C)C2C1CHBA: | 3 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.89 |
AlogP: | 5.54 | Num_rotatable_bonds: | 4 |
MolWt: | 428.66 | Num_heavy_atoms: | 31 |
TPSA: | 57.53 | NumAromaticRings: | 0 |