Glycoside

GD118347
Name:
4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl 4-hydroxybenzoateFormula:
C26H24O12Smiles:
O=C(OC1C(c2c(O)cc(O)c(C(=O)c3ccc(O)cc3)c2O)OC(CO)C(O)C1O)c1ccc(O)cc1Aglycone:
O=C(O)c1ccc(O)cc1.O=C(c1ccc(O)cc1)c1c(O)cc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 4 |
HBD: | 8 | FractionCSP3: | 0.23 |
AlogP: | 0.83 | Num_rotatable_bonds: | 6 |
MolWt: | 528.47 | Num_heavy_atoms: | 38 |
TPSA: | 214.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD02139
Formula: C13H10O5
Smiles:
O=C(c1ccc(O)cc1)c1c(O)cc(O)cc1OHBA: | 5 | RingCount: | 2 |
HBD: | 4 | FractionCSP3: | 0.0 |
AlogP: | 1.74 | Num_rotatable_bonds: | 2 |
MolWt: | 246.22 | Num_heavy_atoms: | 18 |
TPSA: | 97.99 | NumAromaticRings: | 2 |
AD02360
Formula: C7H6O3
Smiles:
O=C(O)c1ccc(O)cc1HBA: | 3 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.0 |
AlogP: | 1.09 | Num_rotatable_bonds: | 1 |
MolWt: | 138.12 | Num_heavy_atoms: | 10 |
TPSA: | 57.53 | NumAromaticRings: | 1 |