Glycoside

GD112146
Name:
[3,4,5-tris(acetyloxy)-6-[(6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]oxan-2-yl]methyl acetateFormula:
C30H27O12ClSmiles:
CC(=O)OC[C@H]1O[C@@H](Oc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.O=c1cc(-c2ccccc2)c2cc(Cl)c(O)cc2o1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 12 | RingCount: | 4 |
HBD: | 0 | FractionCSP3: | 0.34 |
AlogP: | 3.58 | Num_rotatable_bonds: | 8 |
MolWt: | 602.98 | Num_heavy_atoms: | 42 |
TPSA: | 153.87 | NumAromaticRings: | 3 |
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 |
AD44754
Formula: C16H9O3Cl
Smiles:
O=c1cc(-c2ccccc2)c2cc(Cl)c(O)cc2o1HBA: | 3 | RingCount: | 3 |
HBD: | 1 | FractionCSP3: | 0.0 |
AlogP: | 3.82 | Num_rotatable_bonds: | 1 |
MolWt: | 272.69 | Num_heavy_atoms: | 19 |
TPSA: | 50.44 | NumAromaticRings: | 3 |