Glycoside

GD147958
Name:
Dracunculifoside BFormula:
C22H22O12Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(Oc2ccc(C(=O)O)cc2O)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.O=C(O)c1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 3 |
HBD: | 7 | FractionCSP3: | 0.27 |
AlogP: | -0.06 | Num_rotatable_bonds: | 7 |
MolWt: | 478.41 | Num_heavy_atoms: | 34 |
TPSA: | 203.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1HBA: | 4 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.1 |
AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
MolWt: | 194.19 | Num_heavy_atoms: | 14 |
TPSA: | 66.76 | NumAromaticRings: | 1 |
AD13437
Formula: C7H6O4
Smiles:
O=C(O)c1ccc(O)c(O)c1HBA: | 4 | RingCount: | 1 |
HBD: | 3 | FractionCSP3: | 0.0 |
AlogP: | 0.8 | Num_rotatable_bonds: | 1 |
MolWt: | 154.12 | Num_heavy_atoms: | 11 |
TPSA: | 77.76 | NumAromaticRings: | 1 |