Glycoside

GD017703
Name:
EUTIGOSIDE BFormula:
C23H26O10Smiles:
O=C1C=CC(O)(CCO[C@@H]2O[C@H](COC(=O)C=Cc3ccc(O)cc3)[C@H](O)[C@H](O)[C@H]2O)C=C1Aglycone:
COC(=O)C=Cc1ccc(O)cc1.O=C1C=CC(O)(CCO)C=C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.39 |
AlogP: | -0.41 | Num_rotatable_bonds: | 8 |
MolWt: | 462.45 | Num_heavy_atoms: | 33 |
TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1HBA: | 3 | RingCount: | 1 |
HBD: | 1 | FractionCSP3: | 0.1 |
AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
MolWt: | 178.19 | Num_heavy_atoms: | 13 |
TPSA: | 46.53 | NumAromaticRings: | 1 |
AD12613
Formula: C8H10O3
Smiles:
O=C1C=CC(O)(CCO)C=C1HBA: | 3 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.38 |
AlogP: | -0.21 | Num_rotatable_bonds: | 2 |
MolWt: | 154.17 | Num_heavy_atoms: | 11 |
TPSA: | 57.53 | NumAromaticRings: | 0 |