Glycoside

GD137898
Name:
Grandiuvarin BFormula:
C23H24O8Smiles:
CC(=O)OCC(O)(COC(=O)c1ccccc1)C(O)C=CCOC(=O)c1ccccc1Aglycone:
C=CCOC(=O)c1ccccc1.O=Cc1ccccc1Sugarmoiety:
CC(=O)OCC(O)(COO)C(O)OOther Identifiers
Properties
HBA: | 8 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.26 |
AlogP: | 1.91 | Num_rotatable_bonds: | 10 |
MolWt: | 428.44 | Num_heavy_atoms: | 31 |
TPSA: | 119.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD01696
Formula: C7H6O
Smiles:
O=Cc1ccccc1HBA: | 1 | RingCount: | 1 |
HBD: | 0 | FractionCSP3: | 0.0 |
AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
MolWt: | 106.12 | Num_heavy_atoms: | 8 |
TPSA: | 17.07 | NumAromaticRings: | 1 |
AD55690
Formula: C10H10O2
Smiles:
C=CCOC(=O)c1ccccc1HBA: | 2 | RingCount: | 1 |
HBD: | 0 | FractionCSP3: | 0.1 |
AlogP: | 2.03 | Num_rotatable_bonds: | 3 |
MolWt: | 162.19 | Num_heavy_atoms: | 12 |
TPSA: | 26.3 | NumAromaticRings: | 1 |