Glycoside

GD109775
Name:
NoneFormula:
C25H23O8NCl2Smiles:
C=CCOC(=O)[C@H]1O[C@H](OC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)[C@H](O)[C@@H](O)[C@H]1OAglycone:
C=CCOC=O.O=C(O)Cc1ccccc1Nc1c(Cl)cccc1ClSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 9 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.3 |
AlogP: | 2.36 | Num_rotatable_bonds: | 8 |
MolWt: | 512.34 | Num_heavy_atoms: | 34 |
TPSA: | 134.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD10499
Formula: C4H6O2
Smiles:
C=CCOC=OHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.25 |
AlogP: | 0.35 | Num_rotatable_bonds: | 3 |
MolWt: | 86.09 | Num_heavy_atoms: | 6 |
TPSA: | 26.3 | NumAromaticRings: | 0 |
AD18892
Formula: C16H11O2NCl2
Smiles:
O=C(O)Cc1ccccc1Nc1c(Cl)cccc1ClHBA: | 3 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.07 |
AlogP: | 4.36 | Num_rotatable_bonds: | 4 |
MolWt: | 296.15 | Num_heavy_atoms: | 19 |
TPSA: | 49.33 | NumAromaticRings: | 2 |