Glycoside

GD150384
Name:
ophrysaninFormula:
C23H23O14Smiles:
O=C(O)C(=O)OCC1OC(OC2=Cc3c(O)cc([OH2+])cc3OC2c2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
COC(=O)C(=O)O.OC1=Cc2c(O)cc([OH2+])cc2OC1c1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 4 |
HBD: | 9 | FractionCSP3: | 0.3 |
AlogP: | -0.83 | Num_rotatable_bonds: | 5 |
MolWt: | 523.42 | Num_heavy_atoms: | 37 |
TPSA: | 235.57 | NumAromaticRings: | 2 |
Unique Aglycone
AD45250
Formula: C15H13O6
Smiles:
OC1=Cc2c(O)cc([OH2+])cc2OC1c1ccc(O)c(O)c1HBA: | 6 | RingCount: | 3 |
HBD: | 6 | FractionCSP3: | 0.07 |
AlogP: | 2.27 | Num_rotatable_bonds: | 1 |
MolWt: | 289.26 | Num_heavy_atoms: | 21 |
TPSA: | 113.05 | NumAromaticRings: | 2 |
AD48494
Formula: C3H4O4
Smiles:
COC(=O)C(=O)OHBA: | 4 | RingCount: | 0 |
HBD: | 1 | FractionCSP3: | 0.33 |
AlogP: | -0.76 | Num_rotatable_bonds: | 0 |
MolWt: | 104.06 | Num_heavy_atoms: | 7 |
TPSA: | 63.6 | NumAromaticRings: | 0 |