Glycoside

GD147942
Name:
Pieceid-2''-O-CoumarateFormula:
C29H28O10Smiles:
O=C(C=Cc1ccc(O)cc1)OC1C(Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2)OC(CO)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)cc1.Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 4 |
HBD: | 6 | FractionCSP3: | 0.21 |
AlogP: | 2.42 | Num_rotatable_bonds: | 8 |
MolWt: | 536.53 | Num_heavy_atoms: | 39 |
TPSA: | 166.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1HBA: | 3 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.0 |
AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
MolWt: | 164.16 | Num_heavy_atoms: | 12 |
TPSA: | 57.53 | NumAromaticRings: | 1 |
AD01773
Formula: C14H12O3
Smiles:
Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1HBA: | 3 | RingCount: | 2 |
HBD: | 3 | FractionCSP3: | 0.0 |
AlogP: | 2.97 | Num_rotatable_bonds: | 2 |
MolWt: | 228.25 | Num_heavy_atoms: | 17 |
TPSA: | 60.69 | NumAromaticRings: | 2 |