Glycoside

GD140543
Name:
catechin(4alpha->8)pelargonidin 3-o-beta-glucopyranosideFormula:
C36H35O16Smiles:
Oc1ccc(C2Oc3c(c(O)cc(O)c3C3c4c(O)cc(O)cc4OC(c4ccc(O)c(O)c4)C3O)C=C2OC2OC(C[OH2+])C(O)C(O)C2O)cc1Aglycone:
OC1=Cc2c(O)cc(O)c(C3c4c(O)cc(O)cc4OC(c4ccc(O)c(O)c4)C3O)c2OC1c1ccc(O)cc1Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1OOther Identifiers
Properties
HBA: | 16 | RingCount: | 7 |
HBD: | 13 | FractionCSP3: | 0.28 |
AlogP: | 1.28 | Num_rotatable_bonds: | 6 |
MolWt: | 723.66 | Num_heavy_atoms: | 52 |
TPSA: | 282.35 | NumAromaticRings: | 4 |
Unique Aglycone
AD56665
Formula: C30H24O11
Smiles:
OC1=Cc2c(O)cc(O)c(C3c4c(O)cc(O)cc4OC(c4ccc(O)c(O)c4)C3O)c2OC1c1ccc(O)cc1HBA: | 11 | RingCount: | 6 |
HBD: | 9 | FractionCSP3: | 0.13 |
AlogP: | 4.28 | Num_rotatable_bonds: | 3 |
MolWt: | 560.51 | Num_heavy_atoms: | 41 |
TPSA: | 200.53 | NumAromaticRings: | 4 |