Glycoside
GD152351
Name:
cyanidin 3-(2''-glucuronosylglucoside)Formula:
C27H31O17Smiles:
O=C(O)C1OC(OC2C(OC3=Cc4c(O)cc(O)cc4OC3c3ccc(O)c(O)c3)OC(C[OH2+])C(O)C2O)C(O)C(O)C1OAglycone:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1Sugarmoiety:
O=C(O)C1OC(OC2C(O)OC(C[OH2+])C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.44 |
| AlogP: | -2.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 627.53 | Num_heavy_atoms: | 44 |
| TPSA: | 288.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD44975
Formula: C15H12O6
Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
