Glycoside
GD155980
Name:
delphinidin 3-rutinoside-5-glucosideFormula:
C33H43O21Smiles:
CC1OC(OCC2OC(OC3=Cc4c(cc(O)cc4OC4OC(C[OH2+])C(O)C(O)C4O)OC3c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
OC1=Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OC1OC(C[OH2+])C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 15 | FractionCSP3: | 0.58 |
| AlogP: | -4.44 | Num_rotatable_bonds: | 9 |
| MolWt: | 775.69 | Num_heavy_atoms: | 54 |
| TPSA: | 350.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD45104
Formula: C15H12O7
Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 130.61 | NumAromaticRings: | 2 |
