Glycoside

GD109548
Name:
[3,4,5-tris(acetyloxy)-6-({6-oxo-6H-benzo[c]chromen-3-yl}oxy)oxan-2-yl]methyl acetateFormula:
C27H26O12Smiles:
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(=O)c2ccccc23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.O=c1oc2cc(O)ccc2c2ccccc12Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 12 | RingCount: | 4 |
HBD: | 0 | FractionCSP3: | 0.37 |
AlogP: | 2.41 | Num_rotatable_bonds: | 7 |
MolWt: | 542.49 | Num_heavy_atoms: | 39 |
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 |
AD19643
Formula: C13H8O3
Smiles:
O=c1oc2cc(O)ccc2c2ccccc12HBA: | 3 | RingCount: | 3 |
HBD: | 1 | FractionCSP3: | 0.0 |
AlogP: | 2.65 | Num_rotatable_bonds: | 0 |
MolWt: | 212.2 | Num_heavy_atoms: | 16 |
TPSA: | 50.44 | NumAromaticRings: | 3 |