Glycoside

GD126282
Name:
5,6-Epoxy-1,3,4,16,27-Pentahydroxywith-24-Enolide; (1α,3β,4β,5β,6β,16β)-Form, 3-O-β-D-GlucopyranosideFormula:
C34H52O13Smiles:
CC1=C(CO)C(=O)OC(C(C)C2C(O)CC3C4CC5OC56C(O)C(OC5OC(CO)C(O)C(O)C5O)CC(O)C6(C)C4CCC32C)C1Aglycone:
CC1=C(CO)C(=O)OC(C(C)C2C(O)CC3C4CC5OC56C(O)C(O)CC(O)C6(C)C4CCC32C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 7 |
HBD: | 8 | FractionCSP3: | 0.91 |
AlogP: | -0.87 | Num_rotatable_bonds: | 6 |
MolWt: | 668.78 | Num_heavy_atoms: | 47 |
TPSA: | 219.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD51088
Formula: C28H42O8
Smiles:
CC1=C(CO)C(=O)OC(C(C)C2C(O)CC3C4CC5OC56C(O)C(O)CC(O)C6(C)C4CCC32C)C1HBA: | 8 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.89 |
AlogP: | 1.31 | Num_rotatable_bonds: | 3 |
MolWt: | 506.64 | Num_heavy_atoms: | 36 |
TPSA: | 139.98 | NumAromaticRings: | 0 |