Glycoside

GD144093
Name:
(6-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,âµ.0³,â¸]decan-2-yl)methyl 4-hydroxybenzoateFormula:
C22H26O12Smiles:
O=C(OCC12C3OC4CC(O)(O3)C1CC42OC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1Aglycone:
O=C(OCC12C3OC4CC(O)(O3)C1CC42O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 8 |
HBD: | 6 | FractionCSP3: | 0.68 |
AlogP: | -2.04 | Num_rotatable_bonds: | 6 |
MolWt: | 482.44 | Num_heavy_atoms: | 34 |
TPSA: | 184.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD57925
Formula: C16H16O7
Smiles:
O=C(OCC12C3OC4CC(O)(O3)C1CC42O)c1ccc(O)cc1HBA: | 7 | RingCount: | 7 |
HBD: | 3 | FractionCSP3: | 0.56 |
AlogP: | 0.13 | Num_rotatable_bonds: | 3 |
MolWt: | 320.3 | Num_heavy_atoms: | 23 |
TPSA: | 105.45 | NumAromaticRings: | 1 |