Glycoside

GD148234
Name:
[5-({4,5-dihydroxy-2-[(5-hydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methyl 3-phenylprop-2-enoateFormula:
C35H36O14Smiles:
O=C(C=Cc1ccccc1)OCC1(O)COC(OC2C(Oc3cc(O)c4c(c3)OC(c3ccccc3)CC4=O)OC(CO)C(O)C2O)C1OAglycone:
COC(=O)C=Cc1ccccc1.O=C1CC(c2ccccc2)Oc2cc(O)cc(O)c21Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 6 |
HBD: | 6 | FractionCSP3: | 0.37 |
AlogP: | 1.01 | Num_rotatable_bonds: | 10 |
MolWt: | 680.66 | Num_heavy_atoms: | 49 |
TPSA: | 210.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1HBA: | 2 | RingCount: | 1 |
HBD: | 0 | FractionCSP3: | 0.1 |
AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
MolWt: | 162.19 | Num_heavy_atoms: | 12 |
TPSA: | 26.3 | NumAromaticRings: | 1 |
AD07333
Formula: C15H12O4
Smiles:
O=C1CC(c2ccccc2)Oc2cc(O)cc(O)c21HBA: | 4 | RingCount: | 3 |
HBD: | 2 | FractionCSP3: | 0.13 |
AlogP: | 2.8 | Num_rotatable_bonds: | 1 |
MolWt: | 256.26 | Num_heavy_atoms: | 19 |
TPSA: | 66.76 | NumAromaticRings: | 2 |