Glycoside
GD114300
Name:
6-hydroxypelargonidin 3-rutinoside. aurantinidin 3-rutinoside.Formula:
C27H33O15Smiles:
CC1OC(OCC2OC(OC3=C(c4ccc([OH2+])cc4)OC4C=C(O)C(O)=C(O)C4=C3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
OC1=CC2OC(c3ccc([OH2+])cc3)=C(O)C=C2C(O)=C1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.48 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 597.55 | Num_heavy_atoms: | 42 |
| TPSA: | 251.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD44970
Formula: C15H13O6
Smiles:
OC1=CC2OC(c3ccc([OH2+])cc3)=C(O)C=C2C(O)=C1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 289.26 | Num_heavy_atoms: | 21 |
| TPSA: | 113.05 | NumAromaticRings: | 1 |
