Glycoside

GD027665
Name:
NoneFormula:
C37H56O15Smiles:
CCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](O[C@@H]2OC=C(C(=O)OC)[C@@H]3C[C@H](OC(C)=O)[C@H](C)[C@H]23)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
CCCCCCCCCCCC(=O)OC.COC(=O)C1=COC(O)C2C1CC(OC(C)=O)C2CSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 15 | RingCount: | 3 |
HBD: | 0 | FractionCSP3: | 0.78 |
AlogP: | 4.6 | Num_rotatable_bonds: | 19 |
MolWt: | 740.84 | Num_heavy_atoms: | 52 |
TPSA: | 185.49 | NumAromaticRings: | 0 |
Unique Aglycone
AD02417
Formula: C13H18O6
Smiles:
COC(=O)C1=COC(O)C2C1CC(OC(C)=O)C2CHBA: | 6 | RingCount: | 2 |
HBD: | 1 | FractionCSP3: | 0.69 |
AlogP: | 0.6 | Num_rotatable_bonds: | 2 |
MolWt: | 270.28 | Num_heavy_atoms: | 19 |
TPSA: | 82.06 | NumAromaticRings: | 0 |
AD11357
Formula: C13H26O2
Smiles:
CCCCCCCCCCCC(=O)OCHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.92 |
AlogP: | 4.08 | Num_rotatable_bonds: | 10 |
MolWt: | 214.35 | Num_heavy_atoms: | 15 |
TPSA: | 26.3 | NumAromaticRings: | 0 |