Glycoside

GD145681
Name:
5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(2-oxopropoxy)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C23H24O14Smiles:
CC(=O)COC1OC(OC2C(=O)c3c(O)cc(O)cc3OC2c2cc(O)c(O)c(O)c2)C(O)C(O)C1OAglycone:
CC(=O)CO.O=C1c2c(O)cc(O)cc2OC(c2cc(O)c(O)c(O)c2)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 4 |
HBD: | 8 | FractionCSP3: | 0.39 |
AlogP: | -0.71 | Num_rotatable_bonds: | 6 |
MolWt: | 524.43 | Num_heavy_atoms: | 37 |
TPSA: | 232.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD12135
Formula: C3H6O2
Smiles:
CC(=O)COHBA: | 2 | RingCount: | 0 |
HBD: | 1 | FractionCSP3: | 0.67 |
AlogP: | -0.43 | Num_rotatable_bonds: | 1 |
MolWt: | 74.08 | Num_heavy_atoms: | 5 |
TPSA: | 37.3 | NumAromaticRings: | 0 |
AD46522
Formula: C15H12O8
Smiles:
O=C1c2c(O)cc(O)cc2OC(c2cc(O)c(O)c(O)c2)C1OHBA: | 8 | RingCount: | 3 |
HBD: | 6 | FractionCSP3: | 0.13 |
AlogP: | 0.89 | Num_rotatable_bonds: | 1 |
MolWt: | 320.25 | Num_heavy_atoms: | 23 |
TPSA: | 147.68 | NumAromaticRings: | 2 |