Glycoside
GD140773
Name:
epiafzelechin(4alpha->8)pelargonidin 3-o-beta-glucopyranosideFormula:
C36H35O15Smiles:
Oc1ccc(C2Oc3c(c(O)cc(O)c3C3c4c(O)cc(O)cc4OC(c4ccc(O)cc4)C3O)C=C2OC2OC(C[OH2+])C(O)C(O)C2O)cc1Aglycone:
OC1=Cc2c(O)cc(O)c(C3c4c(O)cc(O)cc4OC(c4ccc(O)cc4)C3O)c2OC1c1ccc(O)cc1Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.28 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 707.66 | Num_heavy_atoms: | 51 |
| TPSA: | 262.12 | NumAromaticRings: | 4 |
Unique Aglycone
AD56757
Formula: C30H24O10
Smiles:
OC1=Cc2c(O)cc(O)c(C3c4c(O)cc(O)cc4OC(c4ccc(O)cc4)C3O)c2OC1c1ccc(O)cc1| HBA: | 10 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.13 |
| AlogP: | 4.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 544.51 | Num_heavy_atoms: | 40 |
| TPSA: | 180.3 | NumAromaticRings: | 4 |
