Glycoside

GD105721
Name:
NoneFormula:
C24H30O17Smiles:
COC(=O)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@H](C(=O)O)[C@@H](O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)[C@@H]2OAglycone:
COC(=O)C1C2OC(=O)C1C(C(=O)O)C(O)C2O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 17 | RingCount: | 3 |
HBD: | 2 | FractionCSP3: | 0.71 |
AlogP: | -2.14 | Num_rotatable_bonds: | 9 |
MolWt: | 590.49 | Num_heavy_atoms: | 41 |
TPSA: | 233.79 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=OHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.67 |
AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
MolWt: | 74.08 | Num_heavy_atoms: | 5 |
TPSA: | 26.3 | NumAromaticRings: | 0 |
AD44068
Formula: C10H12O8
Smiles:
COC(=O)C1C2OC(=O)C1C(C(=O)O)C(O)C2OHBA: | 8 | RingCount: | 2 |
HBD: | 3 | FractionCSP3: | 0.7 |
AlogP: | -2.25 | Num_rotatable_bonds: | 2 |
MolWt: | 260.2 | Num_heavy_atoms: | 18 |
TPSA: | 130.36 | NumAromaticRings: | 0 |