Glycoside

GD150831
Name:
Kunzeachromone BFormula:
C32H30O17Smiles:
CC(C)c1cc(=O)c2c(O)cc(O)c(C3OC(CO)C(O)C(OC(=O)c4cc(O)c(O)c(O)c4)C3OC(=O)c3cc(O)c(O)c(O)c3)c2o1Aglycone:
CC(C)c1cc(=O)c2c(O)cc(O)cc2o1.O=C(O)c1cc(O)c(O)c(O)c1.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 17 | RingCount: | 5 |
HBD: | 10 | FractionCSP3: | 0.28 |
AlogP: | 1.81 | Num_rotatable_bonds: | 7 |
MolWt: | 686.58 | Num_heavy_atoms: | 49 |
TPSA: | 294.34 | NumAromaticRings: | 4 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1HBA: | 5 | RingCount: | 1 |
HBD: | 4 | FractionCSP3: | 0.0 |
AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
MolWt: | 170.12 | Num_heavy_atoms: | 12 |
TPSA: | 97.99 | NumAromaticRings: | 1 |
AD05184
Formula: C12H12O4
Smiles:
CC(C)c1cc(=O)c2c(O)cc(O)cc2o1HBA: | 4 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.25 |
AlogP: | 2.33 | Num_rotatable_bonds: | 1 |
MolWt: | 220.22 | Num_heavy_atoms: | 16 |
TPSA: | 70.67 | NumAromaticRings: | 2 |