Glycoside
GD117434
Name:
pelargonidin 3-sophoroside-7-glucosideFormula:
C33H43O20Smiles:
OCC1OC(OC2C(OC3=Cc4c(O)cc(OC5OC(C[OH2+])C(O)C(O)C5O)cc4OC3c3ccc(O)cc3)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)cc1Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.58 |
| AlogP: | -4.88 | Num_rotatable_bonds: | 10 |
| MolWt: | 759.69 | Num_heavy_atoms: | 53 |
| TPSA: | 330.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD24597
Formula: C15H12O5
Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 90.15 | NumAromaticRings: | 2 |
